1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one

C12H14O — CID 164913701

IUPAC1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
SMILESC/C=C\c1ccccc1C(=O)CC
InChIInChI=1S/C12H14O/c1-3-7-10-8-5-6-9-11(10)12(13)4-2/h3,5-9H,4H2,1-2H3/b7-3-
InChIKeyPLDUMXPAOTUMFN-CLTKARDFSA-N
MW174.24 g/mol
LogP3.31
Rot. Bonds3

About 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one

1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one (PubChem CID 164913701) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
PubChem CID164913701
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
SMILESC/C=C\c1ccccc1C(=O)CC
InChIInChI=1S/C12H14O/c1-3-7-10-8-5-6-9-11(10)12(13)4-2/h3,5-9H,4H2,1-2H3/b7-3-
InChIKeyPLDUMXPAOTUMFN-CLTKARDFSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-propanoyl-6-prop-1-enylphenyl) acetate
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1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
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1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
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methane;1-phenylpropan-1-one
CID 67638055
1-(2-phosphanylphenyl)propan-1-one
CID 143391077
(E)-3-ethoxy-1-hydroxy-3-oxo-1-[2-[(E)-prop-1-enyl]phenyl]prop-1-ene-2-diazonium
CID 54708516
(E)-but-2-enedioic acid;1-phenylpropan-1-one
CID 172758330
2-but-1-enylbenzoic acid
CID 66860810
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one?
The IUPAC name of 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one (CID 164913701) is 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one is C/C=C\c1ccccc1C(=O)CC.
What is the InChIKey of 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one?
The InChIKey is PLDUMXPAOTUMFN-CLTKARDFSA-N. The full InChI is InChI=1S/C12H14O/c1-3-7-10-8-5-6-9-11(10)12(13)4-2/h3,5-9H,4H2,1-2H3/b7-3-.
What are the key properties of 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one?
1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one has a molecular weight of 174.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one is sourced from PubChem (CID 164913701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).