1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol

C19H24O — CID 63520342

IUPAC1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H24O/c1-14-5-4-6-17(11-14)9-10-19(20)13-18-8-7-15(2)16(3)12-18/h4-8,11-12,19-20H,9-10,13H2,1-3H3
InChIKeyHRVPESBGQYXRKI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.15
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol

1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol (PubChem CID 63520342) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
PubChem CID63520342
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
SMILESCc1cccc(CCC(O)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H24O/c1-14-5-4-6-17(11-14)9-10-19(20)13-18-8-7-15(2)16(3)12-18/h4-8,11-12,19-20H,9-10,13H2,1-3H3
InChIKeyHRVPESBGQYXRKI-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
CID 55149157
5-chloro-1-(3-methylphenyl)pentan-2-ol
CID 66043960
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
1-(3-methylphenyl)nonan-3-ol
CID 105085389
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol (CID 63520342) is 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol is Cc1cccc(CCC(O)Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol?
The InChIKey is HRVPESBGQYXRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-14-5-4-6-17(11-14)9-10-19(20)13-18-8-7-15(2)16(3)12-18/h4-8,11-12,19-20H,9-10,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol?
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 63520342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).