1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one

C15H16O2 — CID 58544370

IUPAC1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H16O2/c1-10(2)7-14(16)13-8-11-5-3-4-6-12(11)9-15(13)17/h3-6,8-10,17H,7H2,1-2H3
InChIKeyKAPJZHBBXDUFIQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one

1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one (PubChem CID 58544370) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one
PubChem CID58544370
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H16O2/c1-10(2)7-14(16)13-8-11-5-3-4-6-12(11)9-15(13)17/h3-6,8-10,17H,7H2,1-2H3
InChIKeyKAPJZHBBXDUFIQ-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2,4,5-trihydroxyphenyl)butan-1-one
CID 15489187
3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
CID 117306698
1-(3-hydroxynaphthalen-2-yl)-2-methylsulfinylethanone
CID 12715520
1-(2,3-dihydroxyphenyl)-3-methylbutan-1-one
CID 121220947
1-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbutan-1-one
CID 146682720
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one
CID 89289016
methyl 4-[3-(3-hydroxynaphthalen-2-yl)-3-oxopropanoyl]benzoate
CID 58209954
3-hydroxynaphthalene-2-carboxamide
CID 19317
CID 69256301
CID 69256301
N-(2-cyclopropylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 115591184
[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812083

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one (CID 58544370) is 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one is CC(C)CC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one?
The InChIKey is KAPJZHBBXDUFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10(2)7-14(16)13-8-11-5-3-4-6-12(11)9-15(13)17/h3-6,8-10,17H,7H2,1-2H3.
What are the key properties of 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one?
1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one has a molecular weight of 228.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 58544370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).