4-fluoro-2-[(3-methylphenyl)methyl]phenol

C14H13FO — CID 59108977

IUPAC4-fluoro-2-[(3-methylphenyl)methyl]phenol
SMILESCc1cccc(Cc2cc(F)ccc2O)c1
InChIInChI=1S/C14H13FO/c1-10-3-2-4-11(7-10)8-12-9-13(15)5-6-14(12)16/h2-7,9,16H,8H2,1H3
InChIKeyXOVCAHNDDOBPNR-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.43
Rot. Bonds2

About 4-fluoro-2-[(3-methylphenyl)methyl]phenol

4-fluoro-2-[(3-methylphenyl)methyl]phenol (PubChem CID 59108977) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-fluoro-2-[(3-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(3-methylphenyl)methyl]phenol
PubChem CID59108977
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name4-fluoro-2-[(3-methylphenyl)methyl]phenol
SMILESCc1cccc(Cc2cc(F)ccc2O)c1
InChIInChI=1S/C14H13FO/c1-10-3-2-4-11(7-10)8-12-9-13(15)5-6-14(12)16/h2-7,9,16H,8H2,1H3
InChIKeyXOVCAHNDDOBPNR-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine
CID 143881060
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
ethane;2-hydroxy-6-[(3-methylphenyl)methyl]benzoic acid
CID 54516669
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
CID 141126761
2-[(3-hydroxy-4-methylphenyl)methyl]-4-methylphenol
CID 143552541
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-methylphenyl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(3-methylphenyl)methyl]phenol (CID 59108977) is 4-fluoro-2-[(3-methylphenyl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(3-methylphenyl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(3-methylphenyl)methyl]phenol is Cc1cccc(Cc2cc(F)ccc2O)c1.
What is the InChIKey of 4-fluoro-2-[(3-methylphenyl)methyl]phenol?
The InChIKey is XOVCAHNDDOBPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-10-3-2-4-11(7-10)8-12-9-13(15)5-6-14(12)16/h2-7,9,16H,8H2,1H3.
What are the key properties of 4-fluoro-2-[(3-methylphenyl)methyl]phenol?
4-fluoro-2-[(3-methylphenyl)methyl]phenol has a molecular weight of 216.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-methylphenyl)methyl]phenol is sourced from PubChem (CID 59108977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).