3,3-Bis(2-methoxybenzyl)pent-4-en-1-ol - CAS 1384881-68-8
Catalog: |
BB072863 |
Product Name: |
3,3-Bis(2-methoxybenzyl)pent-4-en-1-ol |
CAS: |
1384881-68-8 |
Synonyms: |
3,3-Bis(2-methoxybenzyl)pent-4-en-1-ol; 3,3-Bis[(2-methoxyphenyl)methyl]pent-4-en-1-ol |
IUPAC Name: | 3,3-bis[(2-methoxyphenyl)methyl]pent-4-en-1-ol |
Molecular Weight: | 326.43 |
Molecular Formula: | C21H26O3 |
Canonical SMILES: | COC1=CC=CC=C1CC(CCO)(CC2=CC=CC=C2OC)C=C |
InChI: | InChI=1S/C21H26O3/c1-4-21(13-14-22,15-17-9-5-7-11-19(17)23-2)16-18-10-6-8-12-20(18)24-3/h4-12,22H,1,13-16H2,2-3H3 |
InChI Key: | BLOLEPVEAORNBR-UHFFFAOYSA-N |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.18819469 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.18819469 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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