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

C19H23ClO — CID 63444274

IUPAC2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Cl)C(C)(C)c1ccccc1
InChIInChI=1S/C19H23ClO/c1-5-21-17-12-11-14(2)13-16(17)18(20)19(3,4)15-9-7-6-8-10-15/h6-13,18H,5H2,1-4H3
InChIKeyFWGSDXSUVZXXBW-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.65
Rot. Bonds5

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

2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene (PubChem CID 63444274) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
PubChem CID63444274
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Cl)C(C)(C)c1ccccc1
InChIInChI=1S/C19H23ClO/c1-5-21-17-12-11-14(2)13-16(17)18(20)19(3,4)15-9-7-6-8-10-15/h6-13,18H,5H2,1-4H3
InChIKeyFWGSDXSUVZXXBW-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.65
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-methoxy-4-methylbenzene
CID 63434775
1-(2-ethoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 62301322
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447962
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-ethoxy-4-methylbenzene
CID 79206729
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637085
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 63443873
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297696
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene?
The IUPAC name of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene (CID 63444274) is 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene.
What is the SMILES notation for 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene?
The canonical SMILES for 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene is CCOc1ccc(C)cc1C(Cl)C(C)(C)c1ccccc1.
What is the InChIKey of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene?
The InChIKey is FWGSDXSUVZXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-5-21-17-12-11-14(2)13-16(17)18(20)19(3,4)15-9-7-6-8-10-15/h6-13,18H,5H2,1-4H3.
What are the key properties of 2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene?
2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene has a molecular weight of 302.85 g/mol, XLogP of 5.65, 5 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-ethoxy-4-methylbenzene is sourced from PubChem (CID 63444274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).