2-chloro-1,3-dimethyl-5-propoxybenzene

C11H15ClO — CID 123140196

IUPAC2-chloro-1,3-dimethyl-5-propoxybenzene
SMILESCCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C11H15ClO/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h6-7H,4-5H2,1-3H3
InChIKeyYRYBWOOMSSBUIN-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.75
Rot. Bonds3

About 2-chloro-1,3-dimethyl-5-propoxybenzene

2-chloro-1,3-dimethyl-5-propoxybenzene (PubChem CID 123140196) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-chloro-1,3-dimethyl-5-propoxybenzene.

Molecular Properties

Compound Name2-chloro-1,3-dimethyl-5-propoxybenzene
PubChem CID123140196
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-chloro-1,3-dimethyl-5-propoxybenzene
SMILESCCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C11H15ClO/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h6-7H,4-5H2,1-3H3
InChIKeyYRYBWOOMSSBUIN-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
CID 113103032
1,2-dimethyl-4-propoxybenzene
CID 23549082
(4-chloro-3,5-dimethylphenyl) (E)-3-(4-propoxyphenyl)prop-2-enoate
CID 19181707
2,2-dichloro-1-(2,6-dimethyl-4-propoxyphenyl)ethanol
CID 164895267
4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]benzonitrile
CID 22683271
2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
CID 2284147
4-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]aniline
CID 43519772
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]propan-1-amine
CID 82353498
4-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62584314
4-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
CID 112509062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dimethyl-5-propoxybenzene?
The IUPAC name of 2-chloro-1,3-dimethyl-5-propoxybenzene (CID 123140196) is 2-chloro-1,3-dimethyl-5-propoxybenzene.
What is the SMILES notation for 2-chloro-1,3-dimethyl-5-propoxybenzene?
The canonical SMILES for 2-chloro-1,3-dimethyl-5-propoxybenzene is CCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-chloro-1,3-dimethyl-5-propoxybenzene?
The InChIKey is YRYBWOOMSSBUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-1,3-dimethyl-5-propoxybenzene?
2-chloro-1,3-dimethyl-5-propoxybenzene has a molecular weight of 198.69 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dimethyl-5-propoxybenzene is sourced from PubChem (CID 123140196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).