1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid

C18H13ClO3 — CID 165354130

IUPAC1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)c(-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C18H13ClO3/c1-22-16-10-14(18(20)21)17(12-7-3-2-6-11(12)16)13-8-4-5-9-15(13)19/h2-10H,1H3,(H,20,21)
InChIKeyOBZOZBWNJUSWJC-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.87
Rot. Bonds3

About 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid

1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid (PubChem CID 165354130) has the molecular formula C18H13ClO3 and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
PubChem CID165354130
Molecular FormulaC18H13ClO3
Molecular Weight312.75 g/mol
Exact Mass312.06
IUPAC Name1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)c(-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C18H13ClO3/c1-22-16-10-14(18(20)21)17(12-7-3-2-6-11(12)16)13-8-4-5-9-15(13)19/h2-10H,1H3,(H,20,21)
InChIKeyOBZOZBWNJUSWJC-UHFFFAOYSA-N
XLogP4.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
3-chloro-2-(2-methoxyphenoxy)benzoic acid
CID 113434883
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
1-chloro-9-methoxyphenanthrene
CID 174558891
[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
CID 175500352
2-[(2-bromophenyl)methoxy]-5-chloro-3-methoxybenzoic acid
CID 104665659
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid (CID 165354130) is 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid is COc1cc(C(=O)O)c(-c2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid?
The InChIKey is OBZOZBWNJUSWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3/c1-22-16-10-14(18(20)21)17(12-7-3-2-6-11(12)16)13-8-4-5-9-15(13)19/h2-10H,1H3,(H,20,21).
What are the key properties of 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid?
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid has a molecular weight of 312.75 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 165354130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).