(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate

C17H12O4 — CID 70557557

IUPAC(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
SMILESO=C(Oc1ccc2cc(O)ccc2c1)c1ccc(O)cc1
InChIInChI=1S/C17H12O4/c18-14-5-1-11(2-6-14)17(20)21-16-8-4-12-9-15(19)7-3-13(12)10-16/h1-10,18-19H
InChIKeyZGQMWHRVSIPFSY-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.47
Rot. Bonds2

About (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate

(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate (PubChem CID 70557557) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate.

Molecular Properties

Compound Name(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
PubChem CID70557557
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
SMILESO=C(Oc1ccc2cc(O)ccc2c1)c1ccc(O)cc1
InChIInChI=1S/C17H12O4/c18-14-5-1-11(2-6-14)17(20)21-16-8-4-12-9-15(19)7-3-13(12)10-16/h1-10,18-19H
InChIKeyZGQMWHRVSIPFSY-UHFFFAOYSA-N
XLogP3.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
CID 66793282
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
CID 58982807
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
[6-(3,4,5-trihydroxybenzoyl)oxynaphthalen-2-yl] 3,4,5-trihydroxybenzoate
CID 25157655
naphthalen-2-yl 4-methoxybenzoate
CID 532400

Frequently Asked Questions

What is the IUPAC name of (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate?
The IUPAC name of (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate (CID 70557557) is (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate.
What is the SMILES notation for (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate?
The canonical SMILES for (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate is O=C(Oc1ccc2cc(O)ccc2c1)c1ccc(O)cc1.
What is the InChIKey of (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate?
The InChIKey is ZGQMWHRVSIPFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-14-5-1-11(2-6-14)17(20)21-16-8-4-12-9-15(19)7-3-13(12)10-16/h1-10,18-19H.
What are the key properties of (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate?
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate has a molecular weight of 280.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate is sourced from PubChem (CID 70557557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).