(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one

C14H12O2 — CID 14509487

IUPAC(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
SMILESCC(=O)/C=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H12O2/c1-10(15)6-8-13-12-5-3-2-4-11(12)7-9-14(13)16/h2-9,16H,1H3/b8-6+
InChIKeyGNCGEPAWFPBGHS-SOFGYWHQSA-N
MW212.25 g/mol
LogP3.15
Rot. Bonds2

About (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one

(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one (PubChem CID 14509487) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
PubChem CID14509487
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one
SMILESCC(=O)/C=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H12O2/c1-10(15)6-8-13-12-5-3-2-4-11(12)7-9-14(13)16/h2-9,16H,1H3/b8-6+
InChIKeyGNCGEPAWFPBGHS-SOFGYWHQSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one
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methyl (E)-3-(2-hydroxynaphthalen-1-yl)-2-methylprop-2-enoate
CID 134891901
(E)-4-(2-hydroxy-6-methylphenyl)but-3-en-2-one
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5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
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(3E,5E)-6-anthracen-9-ylhexa-3,5-dien-2-one
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1-(propan-2-yliminomethyl)naphthalen-2-ol
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1-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-ol
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(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
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ethane;(E)-4-(2-fluoro-6-hydroxyphenyl)but-3-en-2-one
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CID 5356585

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one?
The IUPAC name of (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one (CID 14509487) is (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one.
What is the SMILES notation for (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one?
The canonical SMILES for (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one is CC(=O)/C=C/c1c(O)ccc2ccccc12.
What is the InChIKey of (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one?
The InChIKey is GNCGEPAWFPBGHS-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H12O2/c1-10(15)6-8-13-12-5-3-2-4-11(12)7-9-14(13)16/h2-9,16H,1H3/b8-6+.
What are the key properties of (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one?
(E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one has a molecular weight of 212.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-hydroxynaphthalen-1-yl)but-3-en-2-one is sourced from PubChem (CID 14509487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).