methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate

C15H16O3 — CID 82372367

IUPACmethyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(C(C)C)ccc2c1
InChIInChI=1S/C15H16O3/c1-9(2)10-4-5-11-6-12(15(17)18-3)8-14(16)13(11)7-10/h4-9,16H,1-3H3
InChIKeyZZQOLQWKVPDWEG-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.46
Rot. Bonds2

About methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate

methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate (PubChem CID 82372367) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate
PubChem CID82372367
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(C(C)C)ccc2c1
InChIInChI=1S/C15H16O3/c1-9(2)10-4-5-11-6-12(15(17)18-3)8-14(16)13(11)7-10/h4-9,16H,1-3H3
InChIKeyZZQOLQWKVPDWEG-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N,N-dimethyl-6-propan-2-ylnaphthalene-2-carboxamide
CID 82372452
methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate
CID 163232859
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
CID 170047349
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
methyl 3,4,5-trihydroxybenzoate;pentane-1,2,3,4,5-pentol
CID 126649487
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
ethane;methyl naphthalene-2-carboxylate
CID 143895262
ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
CID 73013854
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
CID 73013849
ethane;ethene;methyl 5-ethyl-6-hydroxynaphthalene-2-carboxylate
CID 144537002
methyl 3-hydroxy-4-[(2-hydroxy-4-methoxycarbonylphenyl)disulfanyl]benzoate
CID 22351628

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate (CID 82372367) is methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate is COC(=O)c1cc(O)c2cc(C(C)C)ccc2c1.
What is the InChIKey of methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate?
The InChIKey is ZZQOLQWKVPDWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9(2)10-4-5-11-6-12(15(17)18-3)8-14(16)13(11)7-10/h4-9,16H,1-3H3.
What are the key properties of methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate?
methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 82372367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).