(3,4-difluorophenyl) 4-methoxybenzoate

C14H10F2O3 — CID 159231931

IUPAC(3,4-difluorophenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H10F2O3/c1-18-10-4-2-9(3-5-10)14(17)19-11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKeyKSZZREXCPQLYFK-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.19
Rot. Bonds3

About (3,4-difluorophenyl) 4-methoxybenzoate

(3,4-difluorophenyl) 4-methoxybenzoate (PubChem CID 159231931) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is (3,4-difluorophenyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(3,4-difluorophenyl) 4-methoxybenzoate
PubChem CID159231931
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name(3,4-difluorophenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H10F2O3/c1-18-10-4-2-9(3-5-10)14(17)19-11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKeyKSZZREXCPQLYFK-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3,4-difluorophenyl) 4-methoxybenzoate 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

(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(3,4-difluorophenyl) 4-[(E)-but-2-enoyl]oxybenzoate
CID 18993852
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(3,4-difluorophenyl) 4-methoxy-3-nitrobenzoate
CID 8751807
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
(3-fluoro-4-methylphenyl) 4-methylbenzoate
CID 22944687
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl) 4-methoxybenzoate?
The IUPAC name of (3,4-difluorophenyl) 4-methoxybenzoate (CID 159231931) is (3,4-difluorophenyl) 4-methoxybenzoate.
What is the SMILES notation for (3,4-difluorophenyl) 4-methoxybenzoate?
The canonical SMILES for (3,4-difluorophenyl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of (3,4-difluorophenyl) 4-methoxybenzoate?
The InChIKey is KSZZREXCPQLYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-18-10-4-2-9(3-5-10)14(17)19-11-6-7-12(15)13(16)8-11/h2-8H,1H3.
What are the key properties of (3,4-difluorophenyl) 4-methoxybenzoate?
(3,4-difluorophenyl) 4-methoxybenzoate has a molecular weight of 264.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) 4-methoxybenzoate is sourced from PubChem (CID 159231931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).