4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile

C15H12FNO — CID 141096175

IUPAC4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile
SMILESCc1cc(C(O)c2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C15H12FNO/c1-10-8-12(2-3-13(10)9-17)15(18)11-4-6-14(16)7-5-11/h2-8,15,18H,1H3
InChIKeyGEWZLCDSYXRFHS-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.09
Rot. Bonds2

About 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile

4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile (PubChem CID 141096175) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile
PubChem CID141096175
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile
SMILESCc1cc(C(O)c2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C15H12FNO/c1-10-8-12(2-3-13(10)9-17)15(18)11-4-6-14(16)7-5-11/h2-8,15,18H,1H3
InChIKeyGEWZLCDSYXRFHS-UHFFFAOYSA-N
XLogP3.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[hydroxy(pyridin-4-yl)methyl]benzonitrile
CID 156870865
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
4-[(1R)-1-amino-3-hydroxypropyl]-2-methylbenzonitrile
CID 55270566
2-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethylpyrazol-1-yl]benzonitrile
CID 57400048
4-(2,5-difluorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282783
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
methyl 4-(4-cyano-3-methylphenyl)-3,4-dihydroxybutanoate
CID 171895641
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile (CID 141096175) is 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile is Cc1cc(C(O)c2ccc(F)cc2)ccc1C#N.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile?
The InChIKey is GEWZLCDSYXRFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-8-12(2-3-13(10)9-17)15(18)11-4-6-14(16)7-5-11/h2-8,15,18H,1H3.
What are the key properties of 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile?
4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile has a molecular weight of 241.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxymethyl]-2-methylbenzonitrile is sourced from PubChem (CID 141096175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).