2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol

C17H20O — CID 70499675

IUPAC2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-13-8-10-16(11-9-13)17(18)14(2)12-15-6-4-3-5-7-15/h3-11,14,17-18H,12H2,1-2H3
InChIKeyLALVLQFNPGHAOX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.91
Rot. Bonds4

About 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol

2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 70499675) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
PubChem CID70499675
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-13-8-10-16(11-9-13)17(18)14(2)12-15-6-4-3-5-7-15/h3-11,14,17-18H,12H2,1-2H3
InChIKeyLALVLQFNPGHAOX-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
CID 67671979
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
CID 54605176
methane;[(2R)-2-methylbutyl]benzene;(1S,2R)-2-methyl-1-phenylbutan-1-ol
CID 167593098
(1R,2R)-2-(benzylamino)-1-(4-methylphenyl)propane-1,3-diol
CID 160710690
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
2,3-dimethylbutylbenzene
CID 12054035
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene
CID 123950810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol (CID 70499675) is 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol is Cc1ccc(C(O)C(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is LALVLQFNPGHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13-8-10-16(11-9-13)17(18)14(2)12-15-6-4-3-5-7-15/h3-11,14,17-18H,12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol?
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 70499675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).