ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone

C16H22O — CID 143494422

IUPACethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1ccccc1C(C)=O.CCC1CC1
InChIInChI=1S/C11H12O.C5H10/c1-8(2)10-6-4-5-7-11(10)9(3)12;1-2-5-3-4-5/h4-7H,1H2,2-3H3;5H,2-4H2,1H3
InChIKeyRXHFWRJFDAIBSM-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.73
Rot. Bonds3

About ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone

ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone (PubChem CID 143494422) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone.

Molecular Properties

Compound Nameethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone
PubChem CID143494422
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Nameethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1ccccc1C(C)=O.CCC1CC1
InChIInChI=1S/C11H12O.C5H10/c1-8(2)10-6-4-5-7-11(10)9(3)12;1-2-5-3-4-5/h4-7H,1H2,2-3H3;5H,2-4H2,1H3
InChIKeyRXHFWRJFDAIBSM-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
1-(2-acetylphenyl)ethanone;methane
CID 158210616
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
acetic acid;ethylcyclopropane
CID 175213909
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737

Frequently Asked Questions

What is the IUPAC name of ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone?
The IUPAC name of ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone (CID 143494422) is ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone.
What is the SMILES notation for ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone?
The canonical SMILES for ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone is C=C(C)c1ccccc1C(C)=O.CCC1CC1.
What is the InChIKey of ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone?
The InChIKey is RXHFWRJFDAIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C5H10/c1-8(2)10-6-4-5-7-11(10)9(3)12;1-2-5-3-4-5/h4-7H,1H2,2-3H3;5H,2-4H2,1H3.
What are the key properties of ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone?
ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone is sourced from PubChem (CID 143494422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).