1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene

C14H12ClFO — CID 164895451

IUPAC1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
SMILESCc1cc(F)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C14H12ClFO/c1-10-7-12(16)8-13(15)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyPJFJXVUSSHZJBT-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.37
Rot. Bonds3

About 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene

1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene (PubChem CID 164895451) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
PubChem CID164895451
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
SMILESCc1cc(F)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C14H12ClFO/c1-10-7-12(16)8-13(15)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyPJFJXVUSSHZJBT-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene 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-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117445197
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 117469838
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
4-chloro-2-methyl-3-phenylmethoxypyridin-1-ium chloride
CID 70353014
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
CID 170368161
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene (CID 164895451) is 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene is Cc1cc(F)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene?
The InChIKey is PJFJXVUSSHZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-10-7-12(16)8-13(15)14(10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene?
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene has a molecular weight of 250.70 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 164895451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).