[(E)-1-chloroprop-1-en-2-yl]benzene

C9H9Cl — CID 12504275

IUPAC[(E)-1-chloroprop-1-en-2-yl]benzene
SMILESC/C(=C\Cl)c1ccccc1
InChIInChI=1S/C9H9Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKeyFQNCOLLVXRCXHU-BQYQJAHWSA-N
MW152.62 g/mol
LogP3.29
Rot. Bonds1

About [(E)-1-chloroprop-1-en-2-yl]benzene

[(E)-1-chloroprop-1-en-2-yl]benzene (PubChem CID 12504275) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is [(E)-1-chloroprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-1-chloroprop-1-en-2-yl]benzene
PubChem CID12504275
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name[(E)-1-chloroprop-1-en-2-yl]benzene
SMILESC/C(=C\Cl)c1ccccc1
InChIInChI=1S/C9H9Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKeyFQNCOLLVXRCXHU-BQYQJAHWSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromoprop-1-en-2-ylbenzene
CID 5152757
1-iodoprop-1-en-2-ylbenzene
CID 54065087
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
CID 147586552
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
4-phenylpent-3-en-2-one
CID 594380
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
ethane;4-phenylpent-3-en-2-one
CID 123324566
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
methane;methylphosphane;2-phenylprop-1-enylphosphane;prop-1-en-2-ylbenzene
CID 159485123
1-chloro-4-phenylpent-3-en-2-one
CID 88656703

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloroprop-1-en-2-yl]benzene?
The IUPAC name of [(E)-1-chloroprop-1-en-2-yl]benzene (CID 12504275) is [(E)-1-chloroprop-1-en-2-yl]benzene.
What is the SMILES notation for [(E)-1-chloroprop-1-en-2-yl]benzene?
The canonical SMILES for [(E)-1-chloroprop-1-en-2-yl]benzene is C/C(=C\Cl)c1ccccc1.
What is the InChIKey of [(E)-1-chloroprop-1-en-2-yl]benzene?
The InChIKey is FQNCOLLVXRCXHU-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H9Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+.
What are the key properties of [(E)-1-chloroprop-1-en-2-yl]benzene?
[(E)-1-chloroprop-1-en-2-yl]benzene has a molecular weight of 152.62 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloroprop-1-en-2-yl]benzene is sourced from PubChem (CID 12504275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).