2-chloro-1-methyl-3-propoxybenzene

C10H13ClO — CID 118269413

IUPAC2-chloro-1-methyl-3-propoxybenzene
SMILESCCCOc1cccc(C)c1Cl
InChIInChI=1S/C10H13ClO/c1-3-7-12-9-6-4-5-8(2)10(9)11/h4-6H,3,7H2,1-2H3
InChIKeyFHPSSAGQEMPASI-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.44
Rot. Bonds3

About 2-chloro-1-methyl-3-propoxybenzene

2-chloro-1-methyl-3-propoxybenzene (PubChem CID 118269413) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-propoxybenzene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-propoxybenzene
PubChem CID118269413
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-chloro-1-methyl-3-propoxybenzene
SMILESCCCOc1cccc(C)c1Cl
InChIInChI=1S/C10H13ClO/c1-3-7-12-9-6-4-5-8(2)10(9)11/h4-6H,3,7H2,1-2H3
InChIKeyFHPSSAGQEMPASI-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-chloro-3-propoxybenzene
CID 126752460
2-methyl-3-propoxyaniline
CID 23134606
1,3-dimethyl-2-propoxybenzene
CID 579040
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
CID 118268763
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
O-(2-chloro-3-methylphenyl)hydroxylamine;hydrochloride
CID 173447819
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
2,6-dipropoxybenzoyl iodide
CID 19912030
4-chloro-2-ethyl-3-methyl-8-propoxyquinoline
CID 55221893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-propoxybenzene?
The IUPAC name of 2-chloro-1-methyl-3-propoxybenzene (CID 118269413) is 2-chloro-1-methyl-3-propoxybenzene.
What is the SMILES notation for 2-chloro-1-methyl-3-propoxybenzene?
The canonical SMILES for 2-chloro-1-methyl-3-propoxybenzene is CCCOc1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-propoxybenzene?
The InChIKey is FHPSSAGQEMPASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-3-7-12-9-6-4-5-8(2)10(9)11/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-chloro-1-methyl-3-propoxybenzene?
2-chloro-1-methyl-3-propoxybenzene has a molecular weight of 184.67 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-propoxybenzene is sourced from PubChem (CID 118269413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).