1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol

C18H22O — CID 63899543

IUPAC1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
SMILESCc1cccc(C(O)CC(C)c2ccccc2)c1C
InChIInChI=1S/C18H22O/c1-13-8-7-11-17(15(13)3)18(19)12-14(2)16-9-5-4-6-10-16/h4-11,14,18-19H,12H2,1-3H3
InChIKeyNLAVDEZRFUZDAC-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.53
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol

1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol (PubChem CID 63899543) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
PubChem CID63899543
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
SMILESCc1cccc(C(O)CC(C)c2ccccc2)c1C
InChIInChI=1S/C18H22O/c1-13-8-7-11-17(15(13)3)18(19)12-14(2)16-9-5-4-6-10-16/h4-11,14,18-19H,12H2,1-3H3
InChIKeyNLAVDEZRFUZDAC-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methyl-3-pyridinyl)-3-phenylbutan-1-ol
CID 66273094
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
3-phenylbutane-1,1-diol
CID 18417931
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
[(2,3-dimethylphenyl)-phenylmethyl]phosphane
CID 67637455
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66144051
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(4-bromopentan-2-yl)-2,3-dimethylbenzene
CID 64718581

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol (CID 63899543) is 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol is Cc1cccc(C(O)CC(C)c2ccccc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol?
The InChIKey is NLAVDEZRFUZDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-8-7-11-17(15(13)3)18(19)12-14(2)16-9-5-4-6-10-16/h4-11,14,18-19H,12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol?
1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol is sourced from PubChem (CID 63899543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).