2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene

C17H18Cl2O2 — CID 63434589

IUPAC2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
SMILESCOc1ccc(CCC(Cl)c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-4,6-9,11,16H,5,10H2,1-2H3
InChIKeyMMAITRVBXWFTTK-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.27
Rot. Bonds6

About 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene

2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene (PubChem CID 63434589) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
PubChem CID63434589
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
SMILESCOc1ccc(CCC(Cl)c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O2/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-4,6-9,11,16H,5,10H2,1-2H3
InChIKeyMMAITRVBXWFTTK-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene
CID 63433827
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4,5-trifluorobenzene
CID 103303705
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
3-chloro-2-[1-chloro-3-(4-methoxyphenyl)propyl]thiophene
CID 80530344
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
(2S)-2-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)butanenitrile
CID 125465890
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
2-chloro-1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-methoxybenzene
CID 63434335
1-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]benzene
CID 55199636
1-[1-bromo-3-(4-methoxyphenyl)propyl]-4-methoxy-2-methylbenzene
CID 63438363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene?
The IUPAC name of 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene (CID 63434589) is 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene is COc1ccc(CCC(Cl)c2ccc(OC)cc2Cl)cc1.
What is the InChIKey of 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene?
The InChIKey is MMAITRVBXWFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-4,6-9,11,16H,5,10H2,1-2H3.
What are the key properties of 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene?
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene has a molecular weight of 325.24 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene is sourced from PubChem (CID 63434589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).