1,2-bis(3-methylphenyl)propan-2-ol

C17H20O — CID 60798209

IUPAC1,2-bis(3-methylphenyl)propan-2-ol
SMILESCc1cccc(CC(C)(O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20O/c1-13-6-4-8-15(10-13)12-17(3,18)16-9-5-7-14(2)11-16/h4-11,18H,12H2,1-3H3
InChIKeyPFXLSBWDISOPRN-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.75
Rot. Bonds3

About 1,2-bis(3-methylphenyl)propan-2-ol

1,2-bis(3-methylphenyl)propan-2-ol (PubChem CID 60798209) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,2-bis(3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,2-bis(3-methylphenyl)propan-2-ol
PubChem CID60798209
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1,2-bis(3-methylphenyl)propan-2-ol
SMILESCc1cccc(CC(C)(O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20O/c1-13-6-4-8-15(10-13)12-17(3,18)16-9-5-7-14(2)11-16/h4-11,18H,12H2,1-3H3
InChIKeyPFXLSBWDISOPRN-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
1,1,2-tris(3-methylphenyl)ethylphosphane
CID 155600016
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene
CID 143472200

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methylphenyl)propan-2-ol?
The IUPAC name of 1,2-bis(3-methylphenyl)propan-2-ol (CID 60798209) is 1,2-bis(3-methylphenyl)propan-2-ol.
What is the SMILES notation for 1,2-bis(3-methylphenyl)propan-2-ol?
The canonical SMILES for 1,2-bis(3-methylphenyl)propan-2-ol is Cc1cccc(CC(C)(O)c2cccc(C)c2)c1.
What is the InChIKey of 1,2-bis(3-methylphenyl)propan-2-ol?
The InChIKey is PFXLSBWDISOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13-6-4-8-15(10-13)12-17(3,18)16-9-5-7-14(2)11-16/h4-11,18H,12H2,1-3H3.
What are the key properties of 1,2-bis(3-methylphenyl)propan-2-ol?
1,2-bis(3-methylphenyl)propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylphenyl)propan-2-ol is sourced from PubChem (CID 60798209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).