3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid

C17H20O4 — CID 107702043

IUPAC3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OCCCCCCO
InChIInChI=1S/C17H20O4/c18-9-5-1-2-6-10-21-16-12-14-8-4-3-7-13(14)11-15(16)17(19)20/h3-4,7-8,11-12,18H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyACPOTYBALKZQEQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.47
Rot. Bonds8

About 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid

3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid (PubChem CID 107702043) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
PubChem CID107702043
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1OCCCCCCO
InChIInChI=1S/C17H20O4/c18-9-5-1-2-6-10-21-16-12-14-8-4-3-7-13(14)11-15(16)17(19)20/h3-4,7-8,11-12,18H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyACPOTYBALKZQEQ-UHFFFAOYSA-N
XLogP3.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
4-bromo-2-(6-hydroxyhexoxy)benzoic acid
CID 107702160
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307
4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
3-[2-(methylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 18069619
3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropan-1-ol
CID 139777486
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid (CID 107702043) is 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1OCCCCCCO.
What is the InChIKey of 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
The InChIKey is ACPOTYBALKZQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-9-5-1-2-6-10-21-16-12-14-8-4-3-7-13(14)11-15(16)17(19)20/h3-4,7-8,11-12,18H,1-2,5-6,9-10H2,(H,19,20).
What are the key properties of 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 107702043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).