2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate

C15H16O4 — CID 18787642

IUPAC2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate
SMILESCC(C)COC(=O)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C15H16O4/c1-9(2)8-19-15(18)12-6-10-4-3-5-13(16)11(10)7-14(12)17/h3-7,9,16-17H,8H2,1-2H3
InChIKeyWZKOWIQUGZLIHW-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.06
Rot. Bonds3

About 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate

2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate (PubChem CID 18787642) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate
PubChem CID18787642
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate
SMILESCC(C)COC(=O)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C15H16O4/c1-9(2)8-19-15(18)12-6-10-4-3-5-13(16)11(10)7-14(12)17/h3-7,9,16-17H,8H2,1-2H3
InChIKeyWZKOWIQUGZLIHW-UHFFFAOYSA-N
XLogP3.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-methylpropyl) 4,10-dihydroxyperylene-3,9-dicarboxylate
CID 165391085
methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate
CID 10125583
N,N-diethyl-3,5-dihydroxynaphthalene-2-carboxamide
CID 70248238
5-hydroxy-3-propan-2-yloxynaphthalene-2-carboxamide
CID 118414497
2-methylpropyl 5-ethynyl-2-hydroxybenzoate
CID 150394900
tetrakis(2-methylpropyl) perylene-3,4,9,10-tetracarboxylate
CID 123503031
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812083
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7485849
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
bis(2-methylpropyl) 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502142

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate?
The IUPAC name of 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate (CID 18787642) is 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate?
The canonical SMILES for 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate is CC(C)COC(=O)c1cc2cccc(O)c2cc1O.
What is the InChIKey of 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate?
The InChIKey is WZKOWIQUGZLIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9(2)8-19-15(18)12-6-10-4-3-5-13(16)11(10)7-14(12)17/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate?
2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 18787642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).