1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane

C18H32Cl2 — CID 143403247

IUPAC1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
SMILESCC.CC1(c2ccc(Cl)c(Cl)c2)CC1.CCC.CCC
InChIInChI=1S/C10H10Cl2.2C3H8.C2H6/c1-10(4-5-10)7-2-3-8(11)9(12)6-7;2*1-3-2;1-2/h2-3,6H,4-5H2,1H3;2*3H2,1-2H3;1-2H3
InChIKeyJZKBEAOKXBPFBT-UHFFFAOYSA-N
MW319.36 g/mol
LogP7.90
Rot. Bonds1

About 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane

1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane (PubChem CID 143403247) has the molecular formula C18H32Cl2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane.

Molecular Properties

Compound Name1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
PubChem CID143403247
Molecular FormulaC18H32Cl2
Molecular Weight319.36 g/mol
Exact Mass318.19
IUPAC Name1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
SMILESCC.CC1(c2ccc(Cl)c(Cl)c2)CC1.CCC.CCC
InChIInChI=1S/C10H10Cl2.2C3H8.C2H6/c1-10(4-5-10)7-2-3-8(11)9(12)6-7;2*1-3-2;1-2/h2-3,6H,4-5H2,1H3;2*3H2,1-2H3;1-2H3
InChIKeyJZKBEAOKXBPFBT-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
3-(3,4-dichlorophenyl)-N,3-dimethylcyclopentan-1-amine
CID 116539237
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
1-[1-(3,4-dichlorophenyl)-4,4-difluorocyclohexyl]-N,N-dimethylmethanamine
CID 69329467
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62594601
1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane
CID 164862229
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
CID 11345954
1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene
CID 130646142
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane?
The IUPAC name of 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane (CID 143403247) is 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane.
What is the SMILES notation for 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane?
The canonical SMILES for 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane is CC.CC1(c2ccc(Cl)c(Cl)c2)CC1.CCC.CCC.
What is the InChIKey of 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane?
The InChIKey is JZKBEAOKXBPFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2.2C3H8.C2H6/c1-10(4-5-10)7-2-3-8(11)9(12)6-7;2*1-3-2;1-2/h2-3,6H,4-5H2,1H3;2*3H2,1-2H3;1-2H3.
What are the key properties of 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane?
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane has a molecular weight of 319.36 g/mol, XLogP of 7.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane is sourced from PubChem (CID 143403247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).