1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one

C12H14O2 — CID 150198540

IUPAC1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cccc(CCC)c1O
InChIInChI=1S/C12H14O2/c1-3-6-9-7-5-8-10(12(9)14)11(13)4-2/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyFOYRHGCHIFRBBW-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one

1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one (PubChem CID 150198540) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one
PubChem CID150198540
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cccc(CCC)c1O
InChIInChI=1S/C12H14O2/c1-3-6-9-7-5-8-10(12(9)14)11(13)4-2/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyFOYRHGCHIFRBBW-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.71
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

3-butyl-2-hydroxybenzoic acid
CID 18681512
(2-methyl-6-propylphenyl) prop-2-enoate
CID 141217583
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
3-heptyl-2-hydroxybenzoic acid
CID 67845198
bis(2-methyl-3-propylphenyl)methanone
CID 172692899
phosphoric acid;3-propylbenzene-1,2-diol
CID 174603816
barium(2+);bis(2-propylbenzoate)
CID 101299930
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
ethane;2-methoxy-6-propylphenol
CID 142869062
ethyl 2-amino-3-propylbenzoate
CID 60835647
1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
CID 141071833
methane;methyl 2-propylbenzoate
CID 167647144

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one (CID 150198540) is 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one is C=CC(=O)c1cccc(CCC)c1O.
What is the InChIKey of 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one?
The InChIKey is FOYRHGCHIFRBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-6-9-7-5-8-10(12(9)14)11(13)4-2/h4-5,7-8,14H,2-3,6H2,1H3.
What are the key properties of 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one?
1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-propylphenyl)prop-2-en-1-one is sourced from PubChem (CID 150198540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).