2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene

C19H26Cl2 — CID 160537158

IUPAC2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene
SMILESC=CC(Cl)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C19H26Cl2/c1-6-16(20)13-7-8-15(17(21)9-13)14-10-18(2,3)12-19(4,5)11-14/h6-9,14,16H,1,10-12H2,2-5H3
InChIKeyQWHOHCDUDKYHLC-UHFFFAOYSA-N
MW325.32 g/mol
LogP7.13
Rot. Bonds3

About 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene

2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene (PubChem CID 160537158) has the molecular formula C19H26Cl2 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene.

Molecular Properties

Compound Name2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene
PubChem CID160537158
Molecular FormulaC19H26Cl2
Molecular Weight325.32 g/mol
Exact Mass324.14
IUPAC Name2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene
SMILESC=CC(Cl)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C19H26Cl2/c1-6-16(20)13-7-8-15(17(21)9-13)14-10-18(2,3)12-19(4,5)11-14/h6-9,14,16H,1,10-12H2,2-5H3
InChIKeyQWHOHCDUDKYHLC-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.32
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3'-Dichlorobiphenyl
CID 33100
p-Cymene, 3-chloro-
CID 20421
3-(Hexahydroazepin-1-yl)-1-(3-chloro-4-cyclohexylphenyl)-1-propene hydrochloride
CID 6438730
5,11-Dichlorotricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene
CID 11065727
2-Chloro-4-isopropyltoluene
CID 20420
Benzene, 1,1'-(2,2-dimethylpropylidene)bis(4-chloro-
CID 167830
2-Chloro-4-(chloromethyl)-1-methylbenzene
CID 137691
Benzene, 1,4-dichloro-2-methyl-5-(1-methylethyl)-
CID 93466
3,5-Dichloro-4'-isopropylbiphenyl
CID 173276
Benzene, chloro-1-(1,1-dimethylethyl)-4-methyl-
CID 198598
4-Tert-butyl-2-chloro-1-methylbenzene
CID 524337
1-tert-Butyl-2,5-dichloro-4-methylbenzene
CID 14418830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene?
The IUPAC name of 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene (CID 160537158) is 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene.
What is the SMILES notation for 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene?
The canonical SMILES for 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene is C=CC(Cl)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene?
The InChIKey is QWHOHCDUDKYHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2/c1-6-16(20)13-7-8-15(17(21)9-13)14-10-18(2,3)12-19(4,5)11-14/h6-9,14,16H,1,10-12H2,2-5H3.
What are the key properties of 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene?
2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene has a molecular weight of 325.32 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-chloroprop-2-enyl)-1-(3,3,5,5-tetramethylcyclohexyl)benzene is sourced from PubChem (CID 160537158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).