(2-chlorophenyl) 3,4-dimethoxybenzoate

C15H13ClO4 — CID 19181520

IUPAC(2-chlorophenyl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccc2Cl)cc1OC
InChIInChI=1S/C15H13ClO4/c1-18-13-8-7-10(9-14(13)19-2)15(17)20-12-6-4-3-5-11(12)16/h3-9H,1-2H3
InChIKeyUCBTVRZRVJWBTI-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.58
Rot. Bonds4

About (2-chlorophenyl) 3,4-dimethoxybenzoate

(2-chlorophenyl) 3,4-dimethoxybenzoate (PubChem CID 19181520) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is (2-chlorophenyl) 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2-chlorophenyl) 3,4-dimethoxybenzoate
PubChem CID19181520
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name(2-chlorophenyl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccc2Cl)cc1OC
InChIInChI=1S/C15H13ClO4/c1-18-13-8-7-10(9-14(13)19-2)15(17)20-12-6-4-3-5-11(12)16/h3-9H,1-2H3
InChIKeyUCBTVRZRVJWBTI-UHFFFAOYSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
pyridin-2-yl 3,4-dimethoxybenzoate
CID 35206042
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
[2-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 3,4-dimethoxybenzoate
CID 5090250
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
(2-chlorophenyl) 4-bromobenzoate
CID 530842
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 3,4-dimethoxybenzoate?
The IUPAC name of (2-chlorophenyl) 3,4-dimethoxybenzoate (CID 19181520) is (2-chlorophenyl) 3,4-dimethoxybenzoate.
What is the SMILES notation for (2-chlorophenyl) 3,4-dimethoxybenzoate?
The canonical SMILES for (2-chlorophenyl) 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccccc2Cl)cc1OC.
What is the InChIKey of (2-chlorophenyl) 3,4-dimethoxybenzoate?
The InChIKey is UCBTVRZRVJWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-18-13-8-7-10(9-14(13)19-2)15(17)20-12-6-4-3-5-11(12)16/h3-9H,1-2H3.
What are the key properties of (2-chlorophenyl) 3,4-dimethoxybenzoate?
(2-chlorophenyl) 3,4-dimethoxybenzoate has a molecular weight of 292.72 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 3,4-dimethoxybenzoate is sourced from PubChem (CID 19181520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).