1-buta-2,3-dien-2-yl-2-chlorobenzene

C10H9Cl — CID 154718725

IUPAC1-buta-2,3-dien-2-yl-2-chlorobenzene
SMILESC=C=C(C)c1ccccc1Cl
InChIInChI=1S/C10H9Cl/c1-3-8(2)9-6-4-5-7-10(9)11/h4-7H,1H2,2H3
InChIKeyHNMSDIRCBZRAMM-UHFFFAOYSA-N
MW164.63 g/mol
LogP3.53
Rot. Bonds1

About 1-buta-2,3-dien-2-yl-2-chlorobenzene

1-buta-2,3-dien-2-yl-2-chlorobenzene (PubChem CID 154718725) has the molecular formula C10H9Cl and a molecular weight of 164.63 g/mol. Its IUPAC name is 1-buta-2,3-dien-2-yl-2-chlorobenzene.

Molecular Properties

Compound Name1-buta-2,3-dien-2-yl-2-chlorobenzene
PubChem CID154718725
Molecular FormulaC10H9Cl
Molecular Weight164.63 g/mol
Exact Mass164.04
IUPAC Name1-buta-2,3-dien-2-yl-2-chlorobenzene
SMILESC=C=C(C)c1ccccc1Cl
InChIInChI=1S/C10H9Cl/c1-3-8(2)9-6-4-5-7-10(9)11/h4-7H,1H2,2H3
InChIKeyHNMSDIRCBZRAMM-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-chloro-2-(1-chloroethenyl)benzene
CID 10942929
1-(2-chlorophenyl)buta-2,3-dien-1-one
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3-(2-chlorophenyl)but-2-enenitrile
CID 76913812
2-(2-chlorophenyl)prop-1-en-1-amine
CID 174405971
(E)-1-(2-chlorophenyl)-3-(propan-2-ylamino)but-2-en-1-one
CID 14711664
1-chloro-2-(1-chlorobuta-1,2-dienyl)benzene
CID 159942937
N-[1-(2-chlorophenyl)ethenyl]aniline
CID 155122535
bis(2-chlorophenol);tungsten
CID 88625581

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dien-2-yl-2-chlorobenzene?
The IUPAC name of 1-buta-2,3-dien-2-yl-2-chlorobenzene (CID 154718725) is 1-buta-2,3-dien-2-yl-2-chlorobenzene.
What is the SMILES notation for 1-buta-2,3-dien-2-yl-2-chlorobenzene?
The canonical SMILES for 1-buta-2,3-dien-2-yl-2-chlorobenzene is C=C=C(C)c1ccccc1Cl.
What is the InChIKey of 1-buta-2,3-dien-2-yl-2-chlorobenzene?
The InChIKey is HNMSDIRCBZRAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl/c1-3-8(2)9-6-4-5-7-10(9)11/h4-7H,1H2,2H3.
What are the key properties of 1-buta-2,3-dien-2-yl-2-chlorobenzene?
1-buta-2,3-dien-2-yl-2-chlorobenzene has a molecular weight of 164.63 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dien-2-yl-2-chlorobenzene is sourced from PubChem (CID 154718725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).