1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene

C16H17ClO2 — CID 14248734

IUPAC1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene
SMILESCOc1ccc(OC(C)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H17ClO2/c1-12(16(17)13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16H,1-2H3
InChIKeyVZPPQXNQSQNDTA-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.44
Rot. Bonds5

About 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene

1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene (PubChem CID 14248734) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene
PubChem CID14248734
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene
SMILESCOc1ccc(OC(C)C(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H17ClO2/c1-12(16(17)13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16H,1-2H3
InChIKeyVZPPQXNQSQNDTA-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene?
The IUPAC name of 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene (CID 14248734) is 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene.
What is the SMILES notation for 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene?
The canonical SMILES for 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene is COc1ccc(OC(C)C(Cl)c2ccccc2)cc1.
What is the InChIKey of 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene?
The InChIKey is VZPPQXNQSQNDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-12(16(17)13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16H,1-2H3.
What are the key properties of 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene?
1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene has a molecular weight of 276.76 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-1-phenylpropan-2-yl)oxy-4-methoxybenzene is sourced from PubChem (CID 14248734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).