1,3-dichloro-2-propan-2-ylbenzene

C9H10Cl2 — CID 14028117

IUPAC1,3-dichloro-2-propan-2-ylbenzene
SMILESCC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6H,1-2H3
InChIKeyDIEDNWZQIIEMKF-UHFFFAOYSA-N
MW189.09 g/mol
LogP4.12
Rot. Bonds1

About 1,3-dichloro-2-propan-2-ylbenzene

1,3-dichloro-2-propan-2-ylbenzene (PubChem CID 14028117) has the molecular formula C9H10Cl2 and a molecular weight of 189.09 g/mol. Its IUPAC name is 1,3-dichloro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-propan-2-ylbenzene
PubChem CID14028117
Molecular FormulaC9H10Cl2
Molecular Weight189.09 g/mol
Exact Mass188.02
IUPAC Name1,3-dichloro-2-propan-2-ylbenzene
SMILESCC(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6H,1-2H3
InChIKeyDIEDNWZQIIEMKF-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.09
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
CID 164993906
1-chloro-3-hydroperoxy-2-propan-2-ylbenzene
CID 167440370
(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
CID 144705772
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
1-chloro-3-(4-fluorophenyl)-2-propan-2-ylbenzene
CID 54148188
[(1S)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 124596349
(3-chloro-2-propan-2-ylphenyl)carbamic acid
CID 22078489
3,6-dichloro-2-propan-2-ylaniline
CID 21336280
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-propan-2-ylbenzene?
The IUPAC name of 1,3-dichloro-2-propan-2-ylbenzene (CID 14028117) is 1,3-dichloro-2-propan-2-ylbenzene.
What is the SMILES notation for 1,3-dichloro-2-propan-2-ylbenzene?
The canonical SMILES for 1,3-dichloro-2-propan-2-ylbenzene is CC(C)c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-propan-2-ylbenzene?
The InChIKey is DIEDNWZQIIEMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6H,1-2H3.
What are the key properties of 1,3-dichloro-2-propan-2-ylbenzene?
1,3-dichloro-2-propan-2-ylbenzene has a molecular weight of 189.09 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-propan-2-ylbenzene is sourced from PubChem (CID 14028117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).