2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene

C11H12Cl2 — CID 144910794

IUPAC2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene
SMILESC=C(CC)c1c(Cl)cc(C)cc1Cl
InChIInChI=1S/C11H12Cl2/c1-4-8(3)11-9(12)5-7(2)6-10(11)13/h5-6H,3-4H2,1-2H3
InChIKeyTYXVCTIIQXVJNF-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.73
Rot. Bonds2

About 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene

2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene (PubChem CID 144910794) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene.

Molecular Properties

Compound Name2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene
PubChem CID144910794
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene
SMILESC=C(CC)c1c(Cl)cc(C)cc1Cl
InChIInChI=1S/C11H12Cl2/c1-4-8(3)11-9(12)5-7(2)6-10(11)13/h5-6H,3-4H2,1-2H3
InChIKeyTYXVCTIIQXVJNF-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-but-1-en-2-yl-2-chloro-4-methylbenzene;ethane;pentane
CID 153404685
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
2-chloro-4-methyl-6-propylbenzoic acid
CID 142472953
2-but-1-en-2-yl-4-methylphenol
CID 142975945
N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide
CID 176566314
1-chloro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736542
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-chloro-3-methyl-5-(3-propylhex-1-en-2-yl)benzene
CID 142137761
3-chloro-2-ethanimidoyl-5-methylbenzenethiol
CID 176565894
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene?
The IUPAC name of 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene (CID 144910794) is 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene.
What is the SMILES notation for 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene?
The canonical SMILES for 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene is C=C(CC)c1c(Cl)cc(C)cc1Cl.
What is the InChIKey of 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene?
The InChIKey is TYXVCTIIQXVJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-4-8(3)11-9(12)5-7(2)6-10(11)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene?
2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene has a molecular weight of 215.12 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-1,3-dichloro-5-methylbenzene is sourced from PubChem (CID 144910794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).