2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene

C11H15ClO — CID 13450101

IUPAC2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(C)CCl
InChIInChI=1S/C11H15ClO/c1-8-4-5-11(13-3)10(6-8)9(2)7-12/h4-6,9H,7H2,1-3H3
InChIKeyLSZBAGNFFBYERP-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.35
Rot. Bonds3

About 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene

2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene (PubChem CID 13450101) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
PubChem CID13450101
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(C)CCl
InChIInChI=1S/C11H15ClO/c1-8-4-5-11(13-3)10(6-8)9(2)7-12/h4-6,9H,7H2,1-3H3
InChIKeyLSZBAGNFFBYERP-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloro-3-methylbutan-2-yl)-1-methoxy-4-methylbenzene
CID 82081064
2-chloro-1-(2-methoxy-5-methylphenyl)-N,N-dimethylethanamine
CID 116907394
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259929
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
2-(2-methoxy-5-methylphenyl)octane-4,5-diol
CID 83933104
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
2-(2-methoxy-5-methylphenyl)pentan-3-one
CID 79308264

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene (CID 13450101) is 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C(C)CCl.
What is the InChIKey of 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene?
The InChIKey is LSZBAGNFFBYERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8-4-5-11(13-3)10(6-8)9(2)7-12/h4-6,9H,7H2,1-3H3.
What are the key properties of 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene?
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene has a molecular weight of 198.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 13450101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).