[2-(dichloromethylidene)-3-methylbutyl]benzene

C12H14Cl2 — CID 173308340

IUPAC[2-(dichloromethylidene)-3-methylbutyl]benzene
SMILESCC(C)C(Cc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C12H14Cl2/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyGRLHRMPKXNAEHO-UHFFFAOYSA-N
MW229.15 g/mol
LogP4.57
Rot. Bonds3

About [2-(dichloromethylidene)-3-methylbutyl]benzene

[2-(dichloromethylidene)-3-methylbutyl]benzene (PubChem CID 173308340) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is [2-(dichloromethylidene)-3-methylbutyl]benzene.

Molecular Properties

Compound Name[2-(dichloromethylidene)-3-methylbutyl]benzene
PubChem CID173308340
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name[2-(dichloromethylidene)-3-methylbutyl]benzene
SMILESCC(C)C(Cc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C12H14Cl2/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyGRLHRMPKXNAEHO-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
1-bromoethyl 2-phenylacetate
CID 22386448
3-methyl-1-phenylbutan-2-imine
CID 54004198
zinc;2-phenylacetyl chloride;dichloride
CID 175497500
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
(Z)-4-amino-3-benzyl-2-phenylpent-2-enoic acid
CID 174555698
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776

Frequently Asked Questions

What is the IUPAC name of [2-(dichloromethylidene)-3-methylbutyl]benzene?
The IUPAC name of [2-(dichloromethylidene)-3-methylbutyl]benzene (CID 173308340) is [2-(dichloromethylidene)-3-methylbutyl]benzene.
What is the SMILES notation for [2-(dichloromethylidene)-3-methylbutyl]benzene?
The canonical SMILES for [2-(dichloromethylidene)-3-methylbutyl]benzene is CC(C)C(Cc1ccccc1)=C(Cl)Cl.
What is the InChIKey of [2-(dichloromethylidene)-3-methylbutyl]benzene?
The InChIKey is GRLHRMPKXNAEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of [2-(dichloromethylidene)-3-methylbutyl]benzene?
[2-(dichloromethylidene)-3-methylbutyl]benzene has a molecular weight of 229.15 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dichloromethylidene)-3-methylbutyl]benzene is sourced from PubChem (CID 173308340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).