2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene

C18H21ClO — CID 63434775

IUPAC2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Cl)C(C)(C)c1ccccc1
InChIInChI=1S/C18H21ClO/c1-13-10-11-16(20-4)15(12-13)17(19)18(2,3)14-8-6-5-7-9-14/h5-12,17H,1-4H3
InChIKeyQKMQUSCYXCRJCS-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.26
Rot. Bonds4

About 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene

2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene (PubChem CID 63434775) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
PubChem CID63434775
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1C(Cl)C(C)(C)c1ccccc1
InChIInChI=1S/C18H21ClO/c1-13-10-11-16(20-4)15(12-13)17(19)18(2,3)14-8-6-5-7-9-14/h5-12,17H,1-4H3
InChIKeyQKMQUSCYXCRJCS-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.26
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-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
CID 63444274
1-bromo-5-(1-chloro-2-methyl-2-phenylpropyl)-2-fluoro-4-methoxybenzene
CID 103396341
1-(2-ethoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 62301322
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
CID 103303605
4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene
CID 63427409
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
CID 63427388

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene (CID 63434775) is 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene is COc1ccc(C)cc1C(Cl)C(C)(C)c1ccccc1.
What is the InChIKey of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene?
The InChIKey is QKMQUSCYXCRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-13-10-11-16(20-4)15(12-13)17(19)18(2,3)14-8-6-5-7-9-14/h5-12,17H,1-4H3.
What are the key properties of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene?
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene has a molecular weight of 288.82 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 63434775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).