methyl 4-hydroxynaphthalene-1-carboxylate

C12H10O3 — CID 22171384

IUPACmethyl 4-hydroxynaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C12H10O3/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3
InChIKeyIVAXJJJTBDVHEA-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.33
Rot. Bonds1

About methyl 4-hydroxynaphthalene-1-carboxylate

methyl 4-hydroxynaphthalene-1-carboxylate (PubChem CID 22171384) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 4-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxynaphthalene-1-carboxylate
PubChem CID22171384
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namemethyl 4-hydroxynaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(O)c2ccccc12
InChIInChI=1S/C12H10O3/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3
InChIKeyIVAXJJJTBDVHEA-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
CID 174734462
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
CID 166000497
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate
CID 58933233
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
methyl 2-benzoyloxy-3-hydroxybenzoate
CID 68781973
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxynaphthalene-1-carboxylate?
The IUPAC name of methyl 4-hydroxynaphthalene-1-carboxylate (CID 22171384) is methyl 4-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 4-hydroxynaphthalene-1-carboxylate is COC(=O)c1ccc(O)c2ccccc12.
What is the InChIKey of methyl 4-hydroxynaphthalene-1-carboxylate?
The InChIKey is IVAXJJJTBDVHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3.
What are the key properties of methyl 4-hydroxynaphthalene-1-carboxylate?
methyl 4-hydroxynaphthalene-1-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 22171384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).