1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol

C18H22O — CID 65148452

IUPAC1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
SMILESCc1ccc(C(O)CCCc2ccccc2)cc1C
InChIInChI=1S/C18H22O/c1-14-11-12-17(13-15(14)2)18(19)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13,18-19H,6,9-10H2,1-2H3
InChIKeyDDGRVJNSWPEOTM-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.36
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol

1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol (PubChem CID 65148452) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
PubChem CID65148452
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
SMILESCc1ccc(C(O)CCCc2ccccc2)cc1C
InChIInChI=1S/C18H22O/c1-14-11-12-17(13-15(14)2)18(19)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13,18-19H,6,9-10H2,1-2H3
InChIKeyDDGRVJNSWPEOTM-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
(1S)-1-(3,4-dimethylphenyl)-5-[4-(4-methyl-3-phenylanilino)phenyl]pentan-1-ol;methane
CID 159982898
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol (CID 65148452) is 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol is Cc1ccc(C(O)CCCc2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol?
The InChIKey is DDGRVJNSWPEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-14-11-12-17(13-15(14)2)18(19)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13,18-19H,6,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol?
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.36, 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-phenylbutan-1-ol is sourced from PubChem (CID 65148452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).