phenyl 6-hydroxynaphthalene-2-carboxylate

C17H12O3 — CID 18762076

IUPACphenyl 6-hydroxynaphthalene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H12O3/c18-15-9-8-12-10-14(7-6-13(12)11-15)17(19)20-16-4-2-1-3-5-16/h1-11,18H
InChIKeyZCGDGMQYRJIQSU-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.76
Rot. Bonds2

About phenyl 6-hydroxynaphthalene-2-carboxylate

phenyl 6-hydroxynaphthalene-2-carboxylate (PubChem CID 18762076) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is phenyl 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namephenyl 6-hydroxynaphthalene-2-carboxylate
PubChem CID18762076
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Namephenyl 6-hydroxynaphthalene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H12O3/c18-15-9-8-12-10-14(7-6-13(12)11-15)17(19)20-16-4-2-1-3-5-16/h1-11,18H
InChIKeyZCGDGMQYRJIQSU-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
CID 101418946
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
CID 118029962
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
phenyl 6-(2-naphthalen-2-ylethynyl)naphthalene-2-carboxylate
CID 20724491
[4-[[3-[4-[(6-hydroxynaphthalene-2-carbonyl)amino]phenoxy]carbonylbenzoyl]amino]phenyl] 6-hydroxynaphthalene-2-carboxylate
CID 58445021
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
phenyl 2,6-dihydroxynaphthalene-1-carboxylate
CID 167313842
[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate
CID 20724517
phenyl 3,4-diaminobenzoate
CID 22184045

Frequently Asked Questions

What is the IUPAC name of phenyl 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of phenyl 6-hydroxynaphthalene-2-carboxylate (CID 18762076) is phenyl 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for phenyl 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for phenyl 6-hydroxynaphthalene-2-carboxylate is O=C(Oc1ccccc1)c1ccc2cc(O)ccc2c1.
What is the InChIKey of phenyl 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is ZCGDGMQYRJIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-9-8-12-10-14(7-6-13(12)11-15)17(19)20-16-4-2-1-3-5-16/h1-11,18H.
What are the key properties of phenyl 6-hydroxynaphthalene-2-carboxylate?
phenyl 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 18762076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).