1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one

C12H12O2 — CID 154111061

IUPAC1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
SMILESC=C(C)C(=O)C=Cc1ccccc1O
InChIInChI=1S/C12H12O2/c1-9(2)11(13)8-7-10-5-3-4-6-12(10)14/h3-8,14H,1H2,2H3
InChIKeyCXDUCYLOIDSMHV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one

1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one (PubChem CID 154111061) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
PubChem CID154111061
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
SMILESC=C(C)C(=O)C=Cc1ccccc1O
InChIInChI=1S/C12H12O2/c1-9(2)11(13)8-7-10-5-3-4-6-12(10)14/h3-8,14H,1H2,2H3
InChIKeyCXDUCYLOIDSMHV-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.55
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

(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
3-(2-hydroxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
CID 75629597
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine
CID 136811096

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one?
The IUPAC name of 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one (CID 154111061) is 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one is C=C(C)C(=O)C=Cc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one?
The InChIKey is CXDUCYLOIDSMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9(2)11(13)8-7-10-5-3-4-6-12(10)14/h3-8,14H,1H2,2H3.
What are the key properties of 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one?
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one has a molecular weight of 188.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one is sourced from PubChem (CID 154111061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).