(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one

C12H14O2 — CID 139494540

IUPAC(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
SMILESCC(=O)/C=C/Cc1cc(C)ccc1O
InChIInChI=1S/C12H14O2/c1-9-6-7-12(14)11(8-9)5-3-4-10(2)13/h3-4,6-8,14H,5H2,1-2H3/b4-3+
InChIKeyXLJRGKKDFWTYLT-ONEGZZNKSA-N
MW190.24 g/mol
LogP2.39
Rot. Bonds3

About (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one

(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one (PubChem CID 139494540) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
PubChem CID139494540
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
SMILESCC(=O)/C=C/Cc1cc(C)ccc1O
InChIInChI=1S/C12H14O2/c1-9-6-7-12(14)11(8-9)5-3-4-10(2)13/h3-4,6-8,14H,5H2,1-2H3/b4-3+
InChIKeyXLJRGKKDFWTYLT-ONEGZZNKSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.39
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

2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
2-(diazenylmethyl)-4-methylphenol
CID 123647682
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257
1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide
CID 11344368
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
2-[(2-hydroxy-5-methylphenyl)methylamino]oxyacetamide
CID 112673254

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one?
The IUPAC name of (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one (CID 139494540) is (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one?
The canonical SMILES for (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one is CC(=O)/C=C/Cc1cc(C)ccc1O.
What is the InChIKey of (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one?
The InChIKey is XLJRGKKDFWTYLT-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-6-7-12(14)11(8-9)5-3-4-10(2)13/h3-4,6-8,14H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one?
(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one is sourced from PubChem (CID 139494540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).