(3,3-dichloro-1-ethoxyprop-2-enyl)benzene

C11H12Cl2O — CID 13032776

IUPAC(3,3-dichloro-1-ethoxyprop-2-enyl)benzene
SMILESCCOC(C=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H12Cl2O/c1-2-14-10(8-11(12)13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKeyRAYOOCQAZXMWJG-UHFFFAOYSA-N
MW231.12 g/mol
LogP4.08
Rot. Bonds4

About (3,3-dichloro-1-ethoxyprop-2-enyl)benzene

(3,3-dichloro-1-ethoxyprop-2-enyl)benzene (PubChem CID 13032776) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (3,3-dichloro-1-ethoxyprop-2-enyl)benzene.

Molecular Properties

Compound Name(3,3-dichloro-1-ethoxyprop-2-enyl)benzene
PubChem CID13032776
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(3,3-dichloro-1-ethoxyprop-2-enyl)benzene
SMILESCCOC(C=C(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H12Cl2O/c1-2-14-10(8-11(12)13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKeyRAYOOCQAZXMWJG-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dichloropent-1-en-3-ylbenzene
CID 19885763
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
2-ethoxy-2-phenylethanethiol
CID 151400804
2-ethoxy-1,2-diphenylethanol
CID 3767197
(E)-2-methyl-4-phenyl-4-prop-2-enoxybut-2-enal
CID 132573827
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
CID 102092831
[butan-2-yloxy(ethoxy)methyl]benzene
CID 139725310
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953

Frequently Asked Questions

What is the IUPAC name of (3,3-dichloro-1-ethoxyprop-2-enyl)benzene?
The IUPAC name of (3,3-dichloro-1-ethoxyprop-2-enyl)benzene (CID 13032776) is (3,3-dichloro-1-ethoxyprop-2-enyl)benzene.
What is the SMILES notation for (3,3-dichloro-1-ethoxyprop-2-enyl)benzene?
The canonical SMILES for (3,3-dichloro-1-ethoxyprop-2-enyl)benzene is CCOC(C=C(Cl)Cl)c1ccccc1.
What is the InChIKey of (3,3-dichloro-1-ethoxyprop-2-enyl)benzene?
The InChIKey is RAYOOCQAZXMWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-2-14-10(8-11(12)13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3.
What are the key properties of (3,3-dichloro-1-ethoxyprop-2-enyl)benzene?
(3,3-dichloro-1-ethoxyprop-2-enyl)benzene has a molecular weight of 231.12 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dichloro-1-ethoxyprop-2-enyl)benzene is sourced from PubChem (CID 13032776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).