2,3-bis[(2,3,4-triethylphenyl)methyl]phenol

C32H42O — CID 67181329

IUPAC2,3-bis[(2,3,4-triethylphenyl)methyl]phenol
SMILESCCc1ccc(Cc2cccc(O)c2Cc2ccc(CC)c(CC)c2CC)c(CC)c1CC
InChIInChI=1S/C32H42O/c1-7-22-16-18-25(29(11-5)27(22)9-3)20-24-14-13-15-32(33)31(24)21-26-19-17-23(8-2)28(10-4)30(26)12-6/h13-19,33H,7-12,20-21H2,1-6H3
InChIKeyVCJSQMVIYXNPGU-UHFFFAOYSA-N
MW442.69 g/mol
LogP7.95
Rot. Bonds10

About 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol

2,3-bis[(2,3,4-triethylphenyl)methyl]phenol (PubChem CID 67181329) has the molecular formula C32H42O and a molecular weight of 442.69 g/mol. Its IUPAC name is 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol.

Molecular Properties

Compound Name2,3-bis[(2,3,4-triethylphenyl)methyl]phenol
PubChem CID67181329
Molecular FormulaC32H42O
Molecular Weight442.69 g/mol
Exact Mass442.32
IUPAC Name2,3-bis[(2,3,4-triethylphenyl)methyl]phenol
SMILESCCc1ccc(Cc2cccc(O)c2Cc2ccc(CC)c(CC)c2CC)c(CC)c1CC
InChIInChI=1S/C32H42O/c1-7-22-16-18-25(29(11-5)27(22)9-3)20-24-14-13-15-32(33)31(24)21-26-19-17-23(8-2)28(10-4)30(26)12-6/h13-19,33H,7-12,20-21H2,1-6H3
InChIKeyVCJSQMVIYXNPGU-UHFFFAOYSA-N
XLogP7.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2,3-diethylphenyl)-3-ethylphenol
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3-ethyl-2-octylphenol
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1-chloro-3-(2-ethyl-3-hydroxyphenyl)propan-2-one
CID 170836612
2-(2,3,4-triethylphenoxy)phenol
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2-ethylphenol;N-methylmethanamine
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CID 101303216
3-ethyl-2-(phenoxymethyl)phenol
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bis(2-ethyl-3-hydroxyphenyl)methanone
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CID 52987948

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol?
The IUPAC name of 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol (CID 67181329) is 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol.
What is the SMILES notation for 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol?
The canonical SMILES for 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol is CCc1ccc(Cc2cccc(O)c2Cc2ccc(CC)c(CC)c2CC)c(CC)c1CC.
What is the InChIKey of 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol?
The InChIKey is VCJSQMVIYXNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O/c1-7-22-16-18-25(29(11-5)27(22)9-3)20-24-14-13-15-32(33)31(24)21-26-19-17-23(8-2)28(10-4)30(26)12-6/h13-19,33H,7-12,20-21H2,1-6H3.
What are the key properties of 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol?
2,3-bis[(2,3,4-triethylphenyl)methyl]phenol has a molecular weight of 442.69 g/mol, XLogP of 7.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2,3,4-triethylphenyl)methyl]phenol is sourced from PubChem (CID 67181329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).