2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol

C32H42O — CID 67182206

IUPAC2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol
SMILESCc1ccc(C(C)C(C)c2cccc(O)c2C(C)C(C)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C32H42O/c1-18-14-16-28(22(5)20(18)3)24(7)25(8)30-12-11-13-31(33)32(30)27(10)26(9)29-17-15-19(2)21(4)23(29)6/h11-17,24-27,33H,1-10H3
InChIKeyPRFMMUMRKPNESG-UHFFFAOYSA-N
MW442.69 g/mol
LogP9.06
Rot. Bonds6

About 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol

2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol (PubChem CID 67182206) has the molecular formula C32H42O and a molecular weight of 442.69 g/mol. Its IUPAC name is 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol.

Molecular Properties

Compound Name2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol
PubChem CID67182206
Molecular FormulaC32H42O
Molecular Weight442.69 g/mol
Exact Mass442.32
IUPAC Name2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol
SMILESCc1ccc(C(C)C(C)c2cccc(O)c2C(C)C(C)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C32H42O/c1-18-14-16-28(22(5)20(18)3)24(7)25(8)30-12-11-13-31(33)32(30)27(10)26(9)29-17-15-19(2)21(4)23(29)6/h11-17,24-27,33H,1-10H3
InChIKeyPRFMMUMRKPNESG-UHFFFAOYSA-N
XLogP9.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-tris[3-(2-methylphenyl)butan-2-yl]phenol
CID 67252041
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
2,3-bis[3-(2-octylphenyl)butan-2-yl]phenol
CID 67183715
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol?
The IUPAC name of 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol (CID 67182206) is 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol.
What is the SMILES notation for 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol?
The canonical SMILES for 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol is Cc1ccc(C(C)C(C)c2cccc(O)c2C(C)C(C)c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol?
The InChIKey is PRFMMUMRKPNESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O/c1-18-14-16-28(22(5)20(18)3)24(7)25(8)30-12-11-13-31(33)32(30)27(10)26(9)29-17-15-19(2)21(4)23(29)6/h11-17,24-27,33H,1-10H3.
What are the key properties of 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol?
2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol has a molecular weight of 442.69 g/mol, XLogP of 9.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[3-(2,3,4-trimethylphenyl)butan-2-yl]phenol is sourced from PubChem (CID 67182206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).