methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate

C19H16O3 — CID 10447048

IUPACmethyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(-c3cccc(CO)c3)cc2c1
InChIInChI=1S/C19H16O3/c1-22-19(21)17-8-6-14-5-7-16(10-18(14)11-17)15-4-2-3-13(9-15)12-20/h2-11,20H,12H2,1H3
InChIKeyJZXDZFYBXYPIFH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.79
Rot. Bonds3

About methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate

methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate (PubChem CID 10447048) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
PubChem CID10447048
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Namemethyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(-c3cccc(CO)c3)cc2c1
InChIInChI=1S/C19H16O3/c1-22-19(21)17-8-6-14-5-7-16(10-18(14)11-17)15-4-2-3-13(9-15)12-20/h2-11,20H,12H2,1H3
InChIKeyJZXDZFYBXYPIFH-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
2-(7-methoxycarbonylnaphthalen-2-yl)acetic acid
CID 143785818
methyl 7-(dibenzylsulfamoyl)naphthalene-2-carboxylate
CID 44549141
methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
CID 69360767
methyl 2-phenylazulene-6-carboxylate
CID 23257786
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
methyl 7-methylsulfonyloxynaphthalene-2-carboxylate
CID 59983219
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate (CID 10447048) is methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate is COC(=O)c1ccc2ccc(-c3cccc(CO)c3)cc2c1.
What is the InChIKey of methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate?
The InChIKey is JZXDZFYBXYPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-22-19(21)17-8-6-14-5-7-16(10-18(14)11-17)15-4-2-3-13(9-15)12-20/h2-11,20H,12H2,1H3.
What are the key properties of methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate?
methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate is sourced from PubChem (CID 10447048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).