methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate

C18H13ClO2 — CID 11637956

IUPACmethyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Cl)c2ccccc2c1
InChIInChI=1S/C18H13ClO2/c1-21-18(20)13-10-12-6-2-3-7-14(12)16(11-13)15-8-4-5-9-17(15)19/h2-11H,1H3
InChIKeyHAMWBTQIPMMIOP-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.95
Rot. Bonds2

About methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate

methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate (PubChem CID 11637956) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
PubChem CID11637956
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Namemethyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Cl)c2ccccc2c1
InChIInChI=1S/C18H13ClO2/c1-21-18(20)13-10-12-6-2-3-7-14(12)16(11-13)15-8-4-5-9-17(15)19/h2-11H,1H3
InChIKeyHAMWBTQIPMMIOP-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
CID 154942920
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 4-(hydroxymethyl)naphthalene-2-carboxylate
CID 12749200
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
methyl 1-phenylphenanthrene-3-carboxylate
CID 14065000
methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate
CID 90487890
methyl 8-(2-chlorophenyl)-7-isocyanonaphthalene-2-carboxylate
CID 88553970
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate (CID 11637956) is methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate is COC(=O)c1cc(-c2ccccc2Cl)c2ccccc2c1.
What is the InChIKey of methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate?
The InChIKey is HAMWBTQIPMMIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c1-21-18(20)13-10-12-6-2-3-7-14(12)16(11-13)15-8-4-5-9-17(15)19/h2-11H,1H3.
What are the key properties of methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate?
methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 11637956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).