(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate

C14H9Cl2FO3 — CID 2242663

IUPAC(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)Oc2ccccc2F)cc1Cl
InChIInChI=1S/C14H9Cl2FO3/c1-19-13-9(15)6-8(7-10(13)16)14(18)20-12-5-3-2-4-11(12)17/h2-7H,1H3
InChIKeyKTBDNGRCAWGMCI-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.36
Rot. Bonds3

About (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate

(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate (PubChem CID 2242663) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
PubChem CID2242663
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
SMILESCOc1c(Cl)cc(C(=O)Oc2ccccc2F)cc1Cl
InChIInChI=1S/C14H9Cl2FO3/c1-19-13-9(15)6-8(7-10(13)16)14(18)20-12-5-3-2-4-11(12)17/h2-7H,1H3
InChIKeyKTBDNGRCAWGMCI-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
(5-fluoro-2-nitrophenyl) 3-chloro-4,5-dimethoxybenzoate
CID 55333701
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
(2,3-dimethoxyphenyl) 3,4,5-trihydroxybenzoate
CID 175496611
(2,3,4,5,6-pentafluorophenyl) 3-chloro-4-methoxybenzoate
CID 143457170
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7681312
(2-fluorophenyl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 8764400

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate?
The IUPAC name of (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate (CID 2242663) is (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate.
What is the SMILES notation for (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate?
The canonical SMILES for (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate is COc1c(Cl)cc(C(=O)Oc2ccccc2F)cc1Cl.
What is the InChIKey of (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate?
The InChIKey is KTBDNGRCAWGMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c1-19-13-9(15)6-8(7-10(13)16)14(18)20-12-5-3-2-4-11(12)17/h2-7H,1H3.
What are the key properties of (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate?
(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate has a molecular weight of 315.13 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate is sourced from PubChem (CID 2242663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).