methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate

C21H20O4 — CID 134941672

IUPACmethyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1-c1c(O)cc(C)c(OC)c1C
InChIInChI=1S/C21H20O4/c1-12-11-17(22)18(13(2)20(12)24-3)19-15-8-6-5-7-14(15)9-10-16(19)21(23)25-4/h5-11,22H,1-4H3
InChIKeyKXUFJQFDYJFLDK-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.62
Rot. Bonds3

About methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate

methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate (PubChem CID 134941672) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate
PubChem CID134941672
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Namemethyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1-c1c(O)cc(C)c(OC)c1C
InChIInChI=1S/C21H20O4/c1-12-11-17(22)18(13(2)20(12)24-3)19-15-8-6-5-7-14(15)9-10-16(19)21(23)25-4/h5-11,22H,1-4H3
InChIKeyKXUFJQFDYJFLDK-UHFFFAOYSA-N
XLogP4.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methoxy-2,4-dimethyl-6-nitrophenyl)naphthalene-2-carboxylate
CID 139617435
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 1-(5-formylfuran-2-yl)naphthalene-2-carboxylate
CID 169335441
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate
CID 129144685
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
methyl 1-dibenzothiophen-2-ylnaphthalene-2-carboxylate
CID 141476210
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516
2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
CID 129115928

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate (CID 134941672) is methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1-c1c(O)cc(C)c(OC)c1C.
What is the InChIKey of methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate?
The InChIKey is KXUFJQFDYJFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-12-11-17(22)18(13(2)20(12)24-3)19-15-8-6-5-7-14(15)9-10-16(19)21(23)25-4/h5-11,22H,1-4H3.
What are the key properties of methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate?
methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 134941672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).