1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol

C24H34O3 — CID 10451827

IUPAC1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol
SMILESCc1cc(CCCc2ccc(CO)c(CO)c2)ccc1CCC(O)C(C)C
InChIInChI=1S/C24H34O3/c1-17(2)24(27)12-11-21-9-7-19(13-18(21)3)5-4-6-20-8-10-22(15-25)23(14-20)16-26/h7-10,13-14,17,24-27H,4-6,11-12,15-16H2,1-3H3
InChIKeyFAYFBCZYXZJMOV-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.10
Rot. Bonds10

About 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol

1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol (PubChem CID 10451827) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol
PubChem CID10451827
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol
SMILESCc1cc(CCCc2ccc(CO)c(CO)c2)ccc1CCC(O)C(C)C
InChIInChI=1S/C24H34O3/c1-17(2)24(27)12-11-21-9-7-19(13-18(21)3)5-4-6-20-8-10-22(15-25)23(14-20)16-26/h7-10,13-14,17,24-27H,4-6,11-12,15-16H2,1-3H3
InChIKeyFAYFBCZYXZJMOV-UHFFFAOYSA-N
XLogP4.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
(E)-1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-ol
CID 10344902
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-methylphenyl]sulfanyl-3-methylbutan-2-ol
CID 10341872
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-methylphenoxy]-3-methylbutan-2-ol
CID 11741732
4-[2-[4-[3-[4-[2-(4-aminophenyl)ethyl]-3-methylphenyl]propyl]-2-methylphenyl]ethyl]aniline
CID 139903339
[4-(2,2-dimethylpropyl)-2-methylphenyl]methanol
CID 118313545
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-ethylphenoxy]-3-methylbutan-2-ol
CID 10093247
4,4-dimethyl-1-(2-methyl-4-propylphenyl)nonan-3-ol
CID 143107044
tert-butyl 4-[4-(hydroxymethyl)-3-methylphenyl]butanoate
CID 158315004
6-(4-iodophenyl)-2-methylhexan-3-ol
CID 65490172
6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
1-[4-[5-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]thiophen-2-yl]-3-methylphenyl]pentan-3-ol
CID 70153019

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol?
The IUPAC name of 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol (CID 10451827) is 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol?
The canonical SMILES for 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol is Cc1cc(CCCc2ccc(CO)c(CO)c2)ccc1CCC(O)C(C)C.
What is the InChIKey of 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol?
The InChIKey is FAYFBCZYXZJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-17(2)24(27)12-11-21-9-7-19(13-18(21)3)5-4-6-20-8-10-22(15-25)23(14-20)16-26/h7-10,13-14,17,24-27H,4-6,11-12,15-16H2,1-3H3.
What are the key properties of 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol?
1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol has a molecular weight of 370.53 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol is sourced from PubChem (CID 10451827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).