4-(4-fluoro-3-methoxyphenyl)benzoate

C14H10FO3- — CID 86307174

IUPAC4-(4-fluoro-3-methoxyphenyl)benzoate
SMILESCOc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F
InChIInChI=1S/C14H11FO3/c1-18-13-8-11(6-7-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)/p-1
InChIKeyOSKMZVNVGYHUHG-UHFFFAOYSA-M
MW245.23 g/mol
LogP1.86
Rot. Bonds3

About 4-(4-fluoro-3-methoxyphenyl)benzoate

4-(4-fluoro-3-methoxyphenyl)benzoate (PubChem CID 86307174) has the molecular formula C14H10FO3- and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyphenyl)benzoate.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyphenyl)benzoate
PubChem CID86307174
Molecular FormulaC14H10FO3-
Molecular Weight245.23 g/mol
Exact Mass245.06
IUPAC Name4-(4-fluoro-3-methoxyphenyl)benzoate
SMILESCOc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F
InChIInChI=1S/C14H11FO3/c1-18-13-8-11(6-7-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)/p-1
InChIKeyOSKMZVNVGYHUHG-UHFFFAOYSA-M
XLogP1.86
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-3-methoxyphenyl)benzoate 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

3-fluoro-4-methoxybenzoate
CID 4251674
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
CID 53218961
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyphenyl)benzoate?
The IUPAC name of 4-(4-fluoro-3-methoxyphenyl)benzoate (CID 86307174) is 4-(4-fluoro-3-methoxyphenyl)benzoate.
What is the SMILES notation for 4-(4-fluoro-3-methoxyphenyl)benzoate?
The canonical SMILES for 4-(4-fluoro-3-methoxyphenyl)benzoate is COc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyphenyl)benzoate?
The InChIKey is OSKMZVNVGYHUHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11FO3/c1-18-13-8-11(6-7-12(13)15)9-2-4-10(5-3-9)14(16)17/h2-8H,1H3,(H,16,17)/p-1.
What are the key properties of 4-(4-fluoro-3-methoxyphenyl)benzoate?
4-(4-fluoro-3-methoxyphenyl)benzoate has a molecular weight of 245.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyphenyl)benzoate is sourced from PubChem (CID 86307174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).