6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid

C15H16O4 — CID 14256753

IUPAC6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2c(OC(C)C)c(C(=O)O)ccc2c1
InChIInChI=1S/C15H16O4/c1-9(2)19-14-12-7-5-11(18-3)8-10(12)4-6-13(14)15(16)17/h4-9H,1-3H3,(H,16,17)
InChIKeyKFKWQUHZSRWQES-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.33
Rot. Bonds4

About 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid

6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid (PubChem CID 14256753) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
PubChem CID14256753
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
SMILESCOc1ccc2c(OC(C)C)c(C(=O)O)ccc2c1
InChIInChI=1S/C15H16O4/c1-9(2)19-14-12-7-5-11(18-3)8-10(12)4-6-13(14)15(16)17/h4-9H,1-3H3,(H,16,17)
InChIKeyKFKWQUHZSRWQES-UHFFFAOYSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-6-methoxynaphthalene-1-carboxylic acid
CID 90348531
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2-(3-hydroxybutan-2-ylsulfanyl)-4-methoxybenzoic acid
CID 107772025
3,6-dimethoxyphenanthrene-9-carboxylic acid;phenanthrene-1-carboxylic acid
CID 141397623
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol
CID 22145465
(2S)-2-[1-[9-[2-[(1S)-1-carboxyethyl]-6-methoxynaphthalen-1-yl]nonyl]-6-methoxynaphthalen-2-yl]propanoic acid
CID 178182940
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid?
The IUPAC name of 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid (CID 14256753) is 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid?
The canonical SMILES for 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid is COc1ccc2c(OC(C)C)c(C(=O)O)ccc2c1.
What is the InChIKey of 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid?
The InChIKey is KFKWQUHZSRWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9(2)19-14-12-7-5-11(18-3)8-10(12)4-6-13(14)15(16)17/h4-9H,1-3H3,(H,16,17).
What are the key properties of 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid?
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 14256753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).