3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one

C16H16O2 — CID 138466079

IUPAC3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one
SMILESC=C1C(O)=C(CC=C(C)C)C(=O)c2ccccc21
InChIInChI=1S/C16H16O2/c1-10(2)8-9-14-15(17)11(3)12-6-4-5-7-13(12)16(14)18/h4-8,17H,3,9H2,1-2H3
InChIKeyCENKAXPDLPQZKB-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.06
Rot. Bonds2

About 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one

3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one (PubChem CID 138466079) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one
PubChem CID138466079
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one
SMILESC=C1C(O)=C(CC=C(C)C)C(=O)c2ccccc21
InChIInChI=1S/C16H16O2/c1-10(2)8-9-14-15(17)11(3)12-6-4-5-7-13(12)16(14)18/h4-8,17H,3,9H2,1-2H3
InChIKeyCENKAXPDLPQZKB-UHFFFAOYSA-N
XLogP4.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-1,4-naphthoquinone
CID 6755
2-Methoxy-1,4-Naphthoquinone
CID 16871
2-Methylbenzoic acid
CID 8373
1-Hydroxycyclohexyl phenyl ketone
CID 70355
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
Npc216413
CID 3884
2-Chloro-3-hydroxy-1,4-naphthoquinone
CID 73711
2-Dodecyl-3-hydroxy-1,4-naphthoquinone
CID 14672776
3-Hydroxy-1H-phenalen-1-one
CID 139030
Buparvaquone
CID 71768
Lepachol acetate
CID 276204
2-(2-Oxotetradecanoyl) benzoic acid
CID 139595618

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one?
The IUPAC name of 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one (CID 138466079) is 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one.
What is the SMILES notation for 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one?
The canonical SMILES for 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one is C=C1C(O)=C(CC=C(C)C)C(=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one?
The InChIKey is CENKAXPDLPQZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-10(2)8-9-14-15(17)11(3)12-6-4-5-7-13(12)16(14)18/h4-8,17H,3,9H2,1-2H3.
What are the key properties of 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one?
3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one has a molecular weight of 240.30 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-methylbut-2-enyl)-4-methylidenenaphthalen-1-one is sourced from PubChem (CID 138466079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).