3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one

C13H16O2 — CID 57105990

IUPAC3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(C(=O)C(C)CO)cc1
InChIInChI=1S/C13H16O2/c1-9(2)11-4-6-12(7-5-11)13(15)10(3)8-14/h4-7,10,14H,1,8H2,2-3H3
InChIKeyVUFAAGNRQSCWSL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.53
Rot. Bonds4

About 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one

3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one (PubChem CID 57105990) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
PubChem CID57105990
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(C(=O)C(C)CO)cc1
InChIInChI=1S/C13H16O2/c1-9(2)11-4-6-12(7-5-11)13(15)10(3)8-14/h4-7,10,14H,1,8H2,2-3H3
InChIKeyVUFAAGNRQSCWSL-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 68791945
1-(4-acetylphenyl)-2-methylbutan-1-one;ethane
CID 178178337
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
CID 45081112
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one
CID 177043900
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
4-(4-prop-1-en-2-ylphenyl)butane-1,2-diol
CID 139983559
2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
1-propan-2-ylsulfonyl-4-prop-1-en-2-ylbenzene
CID 89343699
2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 20770261
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one (CID 57105990) is 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one is C=C(C)c1ccc(C(=O)C(C)CO)cc1.
What is the InChIKey of 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
The InChIKey is VUFAAGNRQSCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)11-4-6-12(7-5-11)13(15)10(3)8-14/h4-7,10,14H,1,8H2,2-3H3.
What are the key properties of 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one is sourced from PubChem (CID 57105990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).