1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol

C17H20O2 — CID 141407493

IUPAC1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol
SMILESCc1ccc(CO)c(CC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-13-8-9-14(12-18)15(10-13)11-17(2,19)16-6-4-3-5-7-16/h3-10,18-19H,11-12H2,1-2H3
InChIKeyCVJTWCDHKVSFFI-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.94
Rot. Bonds4

About 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol

1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol (PubChem CID 141407493) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol
PubChem CID141407493
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol
SMILESCc1ccc(CO)c(CC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-13-8-9-14(12-18)15(10-13)11-17(2,19)16-6-4-3-5-7-16/h3-10,18-19H,11-12H2,1-2H3
InChIKeyCVJTWCDHKVSFFI-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[2-(hydroxymethyl)-5-methylphenyl]methyl]phenyl]propan-2-ol
CID 173309846
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
CID 106866102
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol
CID 144927641
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065
1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
CID 62375666

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol (CID 141407493) is 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol is Cc1ccc(CO)c(CC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol?
The InChIKey is CVJTWCDHKVSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13-8-9-14(12-18)15(10-13)11-17(2,19)16-6-4-3-5-7-16/h3-10,18-19H,11-12H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol?
1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol has a molecular weight of 256.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol is sourced from PubChem (CID 141407493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).