1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene

C14H12F2O — CID 174488029

IUPAC1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
SMILESCc1ccc(F)c(COc2ccccc2)c1F
InChIInChI=1S/C14H12F2O/c1-10-7-8-13(15)12(14(10)16)9-17-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyAQONOHSZMLAXAE-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.85
Rot. Bonds3

About 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene

1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene (PubChem CID 174488029) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
PubChem CID174488029
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
SMILESCc1ccc(F)c(COc2ccccc2)c1F
InChIInChI=1S/C14H12F2O/c1-10-7-8-13(15)12(14(10)16)9-17-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyAQONOHSZMLAXAE-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-trimethyl-2,4,6-tris(phenoxymethyl)benzene
CID 139065941
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
CID 176835455
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 69123710
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
1-bromo-2,4-difluoro-3-[(4-propylphenoxy)methyl]benzene
CID 106269980

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene?
The IUPAC name of 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene (CID 174488029) is 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene?
The canonical SMILES for 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene is Cc1ccc(F)c(COc2ccccc2)c1F.
What is the InChIKey of 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene?
The InChIKey is AQONOHSZMLAXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-10-7-8-13(15)12(14(10)16)9-17-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene?
1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene has a molecular weight of 234.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene is sourced from PubChem (CID 174488029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).