1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone

C13H14O — CID 143306088

IUPAC1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
SMILESC=Cc1ccc(C(C)=O)cc1/C=C\C
InChIInChI=1S/C13H14O/c1-4-6-13-9-12(10(3)14)8-7-11(13)5-2/h4-9H,2H2,1,3H3/b6-4-
InChIKeyKTMFZXNSNLDOMJ-XQRVVYSFSA-N
MW186.25 g/mol
LogP3.57
Rot. Bonds3

About 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone

1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone (PubChem CID 143306088) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
PubChem CID143306088
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
SMILESC=Cc1ccc(C(C)=O)cc1/C=C\C
InChIInChI=1S/C13H14O/c1-4-6-13-9-12(10(3)14)8-7-11(13)5-2/h4-9H,2H2,1,3H3/b6-4-
InChIKeyKTMFZXNSNLDOMJ-XQRVVYSFSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-amino-3-ethenylphenyl)ethanone
CID 71501022
1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
CID 130130966
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
4-bromo-1-ethenyl-2-[(Z)-prop-1-enyl]benzene;ethane
CID 142150978
1,5-diethyl-2,4-dimethylbenzene;ethane;1-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]ethanone
CID 144777077
[4-[3-ethenyl-4-[(Z)-prop-1-enyl]benzoyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 143728145
1-(6-ethenylnaphthalen-2-yl)ethanone
CID 139900374
[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid
CID 142377841
2,5-diacetylbenzaldehyde
CID 143109306
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one
CID 172879266
(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one
CID 142235792

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone (CID 143306088) is 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone is C=Cc1ccc(C(C)=O)cc1/C=C\C.
What is the InChIKey of 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone?
The InChIKey is KTMFZXNSNLDOMJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H14O/c1-4-6-13-9-12(10(3)14)8-7-11(13)5-2/h4-9H,2H2,1,3H3/b6-4-.
What are the key properties of 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone?
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone has a molecular weight of 186.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone is sourced from PubChem (CID 143306088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).