(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone

C15H13FO2 — CID 20687997

IUPAC(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1
InChIInChI=1S/C15H13FO2/c1-10-2-7-14(12(8-10)9-17)15(18)11-3-5-13(16)6-4-11/h2-8,17H,9H2,1H3
InChIKeyRZSMADLUZZGKLR-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.86
Rot. Bonds3

About (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone

(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone (PubChem CID 20687997) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
PubChem CID20687997
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1
InChIInChI=1S/C15H13FO2/c1-10-2-7-14(12(8-10)9-17)15(18)11-3-5-13(16)6-4-11/h2-8,17H,9H2,1H3
InChIKeyRZSMADLUZZGKLR-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
CID 18779874
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone
CID 177401034
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
CID 18779868
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
(4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
CID 85327020
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
3-(4-fluorobenzoyl)-7-methylchromen-4-one
CID 775952
[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
CID 142226564

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone (CID 20687997) is (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone is Cc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1.
What is the InChIKey of (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone?
The InChIKey is RZSMADLUZZGKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-2-7-14(12(8-10)9-17)15(18)11-3-5-13(16)6-4-11/h2-8,17H,9H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone?
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone has a molecular weight of 244.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone is sourced from PubChem (CID 20687997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).