2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate

C15H16O4 — CID 59791188

IUPAC2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate
SMILESCCC(O)COC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H16O4/c1-2-13(16)9-19-15(18)12-4-3-11-8-14(17)6-5-10(11)7-12/h3-8,13,16-17H,2,9H2,1H3
InChIKeyVXJLCQIWLZOLBG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.47
Rot. Bonds4

About 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate

2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate (PubChem CID 59791188) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate
PubChem CID59791188
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate
SMILESCCC(O)COC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H16O4/c1-2-13(16)9-19-15(18)12-4-3-11-8-14(17)6-5-10(11)7-12/h3-8,13,16-17H,2,9H2,1H3
InChIKeyVXJLCQIWLZOLBG-UHFFFAOYSA-N
XLogP2.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-methylbutyl] 6-hydroxynaphthalene-2-carboxylate
CID 54031748
6-O-(2-hydroxybutyl) 2-O-[2-hydroxy-3-[2-(2-methoxy-2-oxoethyl)sulfanylacetyl]oxypropyl] naphthalene-2,6-dicarboxylate
CID 162506452
2-O-[2-hydroxy-3-[2-(2-hydroxybutoxycarbonyl)cyclohexanecarbonyl]oxypropyl] 6-O-methyl naphthalene-2,6-dicarboxylate
CID 118579672
3-O-[2-hydroxy-3-[4-(2-hydroxybutoxycarbonyl)benzoyl]oxypropyl] 1-O-methyl 5-hydroxybenzene-1,3-dicarboxylate
CID 162506450
2-hydroxybutyl 2-(6-hydroxynaphthalen-1-yl)-1,3-dioxoisoindole-5-carboxylate
CID 170224683
octyl 6-hydroxynaphthalene-2-carboxylate
CID 54286697
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
butyl 4-hydroxybenzoate;butyl 4-(2-hydroxybutoxy)benzoate
CID 161417517
ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
CID 53231119
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108
2-propylpentyl naphthalene-2-carboxylate
CID 146351385

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate (CID 59791188) is 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate is CCC(O)COC(=O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is VXJLCQIWLZOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-13(16)9-19-15(18)12-4-3-11-8-14(17)6-5-10(11)7-12/h3-8,13,16-17H,2,9H2,1H3.
What are the key properties of 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate?
2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 59791188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).