(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate

C18H14O4 — CID 163643445

IUPAC(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccc(O)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H14O4/c19-14-8-5-12(6-9-14)11-22-18(21)16-10-7-13-3-1-2-4-15(13)17(16)20/h1-10,19-20H,11H2
InChIKeyIGGFWEYUNOFDRX-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.61
Rot. Bonds3

About (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate

(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate (PubChem CID 163643445) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
PubChem CID163643445
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCc1ccc(O)cc1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H14O4/c19-14-8-5-12(6-9-14)11-22-18(21)16-10-7-13-3-1-2-4-15(13)17(16)20/h1-10,19-20H,11H2
InChIKeyIGGFWEYUNOFDRX-UHFFFAOYSA-N
XLogP3.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 957131
(4-nitrophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 958589
(3,3-dimethyl-2-oxobutyl) 1-hydroxynaphthalene-2-carboxylate
CID 958586
tetradecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232785
octadecyl 1-hydroxynaphthalene-2-carboxylate
CID 141232786
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558637
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 2559101
benzyl pyrene-1-carboxylate
CID 71374749
[2-(butylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558712
2-(1-hydroxynaphthalene-2-carbonyl)oxynaphthalene-1-carboxylic acid
CID 57145016
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558914

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate (CID 163643445) is (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate is O=C(OCc1ccc(O)cc1)c1ccc2ccccc2c1O.
What is the InChIKey of (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is IGGFWEYUNOFDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-14-8-5-12(6-9-14)11-22-18(21)16-10-7-13-3-1-2-4-15(13)17(16)20/h1-10,19-20H,11H2.
What are the key properties of (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate?
(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 163643445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).