7-phenylmethoxynaphthalene-2-carboxylic acid

C18H14O3 — CID 22243430

IUPAC7-phenylmethoxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C18H14O3/c19-18(20)15-7-6-14-8-9-17(11-16(14)10-15)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)
InChIKeyRISJULZHRZZOBS-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.12
Rot. Bonds4

About 7-phenylmethoxynaphthalene-2-carboxylic acid

7-phenylmethoxynaphthalene-2-carboxylic acid (PubChem CID 22243430) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 7-phenylmethoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-phenylmethoxynaphthalene-2-carboxylic acid
PubChem CID22243430
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name7-phenylmethoxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C18H14O3/c19-18(20)15-7-6-14-8-9-17(11-16(14)10-15)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)
InChIKeyRISJULZHRZZOBS-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
CID 10150574
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
3-(isoquinolin-7-yloxymethyl)benzoic acid
CID 155153998
naphthalene-2-carboxylic acid
CID 175967775
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
hexacene-2-carboxylic acid
CID 87430666
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxynaphthalene-2-carboxylic acid?
The IUPAC name of 7-phenylmethoxynaphthalene-2-carboxylic acid (CID 22243430) is 7-phenylmethoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-phenylmethoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 7-phenylmethoxynaphthalene-2-carboxylic acid is O=C(O)c1ccc2ccc(OCc3ccccc3)cc2c1.
What is the InChIKey of 7-phenylmethoxynaphthalene-2-carboxylic acid?
The InChIKey is RISJULZHRZZOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-18(20)15-7-6-14-8-9-17(11-16(14)10-15)21-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20).
What are the key properties of 7-phenylmethoxynaphthalene-2-carboxylic acid?
7-phenylmethoxynaphthalene-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 22243430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).