(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate

C16H13Cl2FO4 — CID 7359071

IUPAC(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OCc2c(F)cccc2Cl)cc(Cl)c1O
InChIInChI=1S/C16H13Cl2FO4/c1-2-22-14-7-9(6-12(18)15(14)20)16(21)23-8-10-11(17)4-3-5-13(10)19/h3-7,20H,2,8H2,1H3
InChIKeyGGBLAQITZORLNP-UHFFFAOYSA-N
MW359.18 g/mol
LogP4.59
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate

(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate (PubChem CID 7359071) has the molecular formula C16H13Cl2FO4 and a molecular weight of 359.18 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
PubChem CID7359071
Molecular FormulaC16H13Cl2FO4
Molecular Weight359.18 g/mol
Exact Mass358.02
IUPAC Name(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
SMILESCCOc1cc(C(=O)OCc2c(F)cccc2Cl)cc(Cl)c1O
InChIInChI=1S/C16H13Cl2FO4/c1-2-22-14-7-9(6-12(18)15(14)20)16(21)23-8-10-11(17)4-3-5-13(10)19/h3-7,20H,2,8H2,1H3
InChIKeyGGBLAQITZORLNP-UHFFFAOYSA-N
XLogP4.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
(2-cyanophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7571487
(2-chloro-6-fluorophenyl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9066853
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
2-(4-chlorophenoxy)ethyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358999
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2,6-difluorophenyl)methyl 3,5-diaminobenzoate
CID 114932965
[2-(3-acetamidoanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7358995
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate (CID 7359071) is (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate is CCOc1cc(C(=O)OCc2c(F)cccc2Cl)cc(Cl)c1O.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
The InChIKey is GGBLAQITZORLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO4/c1-2-22-14-7-9(6-12(18)15(14)20)16(21)23-8-10-11(17)4-3-5-13(10)19/h3-7,20H,2,8H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate?
(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate has a molecular weight of 359.18 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate is sourced from PubChem (CID 7359071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).