1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene

C17H19ClO — CID 79417395

IUPAC1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene
SMILESCOc1ccccc1CC(CCl)c1cccc(C)c1
InChIInChI=1S/C17H19ClO/c1-13-6-5-8-14(10-13)16(12-18)11-15-7-3-4-9-17(15)19-2/h3-10,16H,11-12H2,1-2H3
InChIKeyLHMZMGOZKNTQCS-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.57
Rot. Bonds5

About 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene

1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene (PubChem CID 79417395) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene.

Molecular Properties

Compound Name1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene
PubChem CID79417395
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene
SMILESCOc1ccccc1CC(CCl)c1cccc(C)c1
InChIInChI=1S/C17H19ClO/c1-13-6-5-8-14(10-13)16(12-18)11-15-7-3-4-9-17(15)19-2/h3-10,16H,11-12H2,1-2H3
InChIKeyLHMZMGOZKNTQCS-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.57
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

1-bromo-4-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79434338
1-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]-3-methylbenzene
CID 79417926
1-[3-bromo-2-(3-methylphenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795529
1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63443300

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene?
The IUPAC name of 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene (CID 79417395) is 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene.
What is the SMILES notation for 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene?
The canonical SMILES for 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene is COc1ccccc1CC(CCl)c1cccc(C)c1.
What is the InChIKey of 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene?
The InChIKey is LHMZMGOZKNTQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-13-6-5-8-14(10-13)16(12-18)11-15-7-3-4-9-17(15)19-2/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene?
1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene has a molecular weight of 274.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]-3-methylbenzene is sourced from PubChem (CID 79417395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).