4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene

C12H17ClO2 — CID 167036227

IUPAC4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)c(Cl)c(OC)c1C
InChIInChI=1S/C12H17ClO2/c1-7(2)9-6-10(14-4)8(3)12(15-5)11(9)13/h6-7H,1-5H3
InChIKeyOGSBCIGCPQOXLW-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.79
Rot. Bonds3

About 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene

4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene (PubChem CID 167036227) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
PubChem CID167036227
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)c(Cl)c(OC)c1C
InChIInChI=1S/C12H17ClO2/c1-7(2)9-6-10(14-4)8(3)12(15-5)11(9)13/h6-7H,1-5H3
InChIKeyOGSBCIGCPQOXLW-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
CID 102416676
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117476497
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
3-chloro-2,5-dimethoxy-4-methylbenzonitrile
CID 117302242
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
CID 11746525
2,6-dichloro-8-methoxy-5-methyl-3-propan-2-ylquinoline
CID 55222599
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
The IUPAC name of 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene (CID 167036227) is 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene.
What is the SMILES notation for 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
The canonical SMILES for 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene is COc1cc(C(C)C)c(Cl)c(OC)c1C.
What is the InChIKey of 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
The InChIKey is OGSBCIGCPQOXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7(2)9-6-10(14-4)8(3)12(15-5)11(9)13/h6-7H,1-5H3.
What are the key properties of 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene has a molecular weight of 228.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene is sourced from PubChem (CID 167036227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).