6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid

C18H13FO3 — CID 172868745

IUPAC6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
SMILESCOc1ccc(F)c(-c2ccc3cc(C(=O)O)ccc3c2)c1
InChIInChI=1S/C18H13FO3/c1-22-15-6-7-17(19)16(10-15)13-4-2-12-9-14(18(20)21)5-3-11(12)8-13/h2-10H,1H3,(H,20,21)
InChIKeyUBZWNVXIIQOVDT-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.35
Rot. Bonds3

About 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid

6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid (PubChem CID 172868745) has the molecular formula C18H13FO3 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
PubChem CID172868745
Molecular FormulaC18H13FO3
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Name6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
SMILESCOc1ccc(F)c(-c2ccc3cc(C(=O)O)ccc3c2)c1
InChIInChI=1S/C18H13FO3/c1-22-15-6-7-17(19)16(10-15)13-4-2-12-9-14(18(20)21)5-3-11(12)8-13/h2-10H,1H3,(H,20,21)
InChIKeyUBZWNVXIIQOVDT-UHFFFAOYSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid (CID 172868745) is 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid is COc1ccc(F)c(-c2ccc3cc(C(=O)O)ccc3c2)c1.
What is the InChIKey of 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid?
The InChIKey is UBZWNVXIIQOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO3/c1-22-15-6-7-17(19)16(10-15)13-4-2-12-9-14(18(20)21)5-3-11(12)8-13/h2-10H,1H3,(H,20,21).
What are the key properties of 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid?
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 172868745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).