2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene

C17H18Cl2O — CID 63434336

IUPAC2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
SMILESCCC(c1ccccc1)C(Cl)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H18Cl2O/c1-3-14(12-7-5-4-6-8-12)17(19)15-10-9-13(20-2)11-16(15)18/h4-11,14,17H,3H2,1-2H3
InChIKeyHMBZGRCGNXIUPA-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.82
Rot. Bonds5

About 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene

2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene (PubChem CID 63434336) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
PubChem CID63434336
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
SMILESCCC(c1ccccc1)C(Cl)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H18Cl2O/c1-3-14(12-7-5-4-6-8-12)17(19)15-10-9-13(20-2)11-16(15)18/h4-11,14,17H,3H2,1-2H3
InChIKeyHMBZGRCGNXIUPA-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.82
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-(1-bromo-2-phenylpropyl)-2-chloro-4-methoxybenzene
CID 114028903
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene
CID 70548044
1-bromo-5-(1-chloro-2-phenylbutyl)-2-fluoro-4-methoxybenzene
CID 103396168
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
5-(1-chloro-2-phenylbutyl)-2-methoxy-1,3-dimethylbenzene
CID 83044225
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 116964713
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene?
The IUPAC name of 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene (CID 63434336) is 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene is CCC(c1ccccc1)C(Cl)c1ccc(OC)cc1Cl.
What is the InChIKey of 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene?
The InChIKey is HMBZGRCGNXIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-3-14(12-7-5-4-6-8-12)17(19)15-10-9-13(20-2)11-16(15)18/h4-11,14,17H,3H2,1-2H3.
What are the key properties of 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene?
2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene has a molecular weight of 309.24 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene is sourced from PubChem (CID 63434336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).