(3,4-dichlorophenyl) naphthalene-2-carboxylate

C17H10Cl2O2 — CID 7959552

IUPAC(3,4-dichlorophenyl) naphthalene-2-carboxylate
SMILESO=C(Oc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C17H10Cl2O2/c18-15-8-7-14(10-16(15)19)21-17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyHRHGTVJPOMCWHQ-UHFFFAOYSA-N
MW317.17 g/mol
LogP5.37
Rot. Bonds2

About (3,4-dichlorophenyl) naphthalene-2-carboxylate

(3,4-dichlorophenyl) naphthalene-2-carboxylate (PubChem CID 7959552) has the molecular formula C17H10Cl2O2 and a molecular weight of 317.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) naphthalene-2-carboxylate
PubChem CID7959552
Molecular FormulaC17H10Cl2O2
Molecular Weight317.17 g/mol
Exact Mass316.01
IUPAC Name(3,4-dichlorophenyl) naphthalene-2-carboxylate
SMILESO=C(Oc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C17H10Cl2O2/c18-15-8-7-14(10-16(15)19)21-17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyHRHGTVJPOMCWHQ-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.17
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
[4-[(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
CID 3837309
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate
CID 91679824
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
CID 804637
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
phenyl 6-(2-naphthalen-2-ylethynyl)naphthalene-2-carboxylate
CID 20724491
(3,4,5-trifluorophenyl) naphthalene-2-carboxylate
CID 151781841
naphthalen-2-yl 5-bromo-2-chlorobenzoate
CID 7926818
[9-[3,6-bis(naphthalene-2-carbonyloxy)-9H-xanthen-9-yl]-6-(naphthalene-2-carbonyloxy)-9H-xanthen-3-yl] naphthalene-2-carboxylate
CID 139854828
naphthalen-2-yl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4599470

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) naphthalene-2-carboxylate?
The IUPAC name of (3,4-dichlorophenyl) naphthalene-2-carboxylate (CID 7959552) is (3,4-dichlorophenyl) naphthalene-2-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl) naphthalene-2-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl) naphthalene-2-carboxylate is O=C(Oc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of (3,4-dichlorophenyl) naphthalene-2-carboxylate?
The InChIKey is HRHGTVJPOMCWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O2/c18-15-8-7-14(10-16(15)19)21-17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H.
What are the key properties of (3,4-dichlorophenyl) naphthalene-2-carboxylate?
(3,4-dichlorophenyl) naphthalene-2-carboxylate has a molecular weight of 317.17 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) naphthalene-2-carboxylate is sourced from PubChem (CID 7959552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).