1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid

C17H20O4 — CID 107702048

IUPAC1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1OCCCCCCO
InChIInChI=1S/C17H20O4/c18-11-5-1-2-6-12-21-16-14-8-4-3-7-13(14)9-10-15(16)17(19)20/h3-4,7-10,18H,1-2,5-6,11-12H2,(H,19,20)
InChIKeyGTDNCTIKQPMAPR-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.47
Rot. Bonds8

About 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid

1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid (PubChem CID 107702048) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
PubChem CID107702048
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1OCCCCCCO
InChIInChI=1S/C17H20O4/c18-11-5-1-2-6-12-21-16-14-8-4-3-7-13(14)9-10-15(16)17(19)20/h3-4,7-10,18H,1-2,5-6,11-12H2,(H,19,20)
InChIKeyGTDNCTIKQPMAPR-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

1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277
3-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702043
1-pent-3-ynoxynaphthalene-2-carboxylic acid
CID 113455142
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321
1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
CID 68977043
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
CID 61379131
2,3-bis(2-hydroxyethoxy)terephthalic acid
CID 18003835
1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid (CID 107702048) is 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1OCCCCCCO.
What is the InChIKey of 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
The InChIKey is GTDNCTIKQPMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-11-5-1-2-6-12-21-16-14-8-4-3-7-13(14)9-10-15(16)17(19)20/h3-4,7-10,18H,1-2,5-6,11-12H2,(H,19,20).
What are the key properties of 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid?
1-(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 1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 107702048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).