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

C17H17Cl3O — CID 66048357

IUPAC4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC(CCl)Cc1cccc(Cl)c1
InChIInChI=1S/C17H17Cl3O/c1-21-17-6-5-16(20)10-14(17)8-13(11-18)7-12-3-2-4-15(19)9-12/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyKUDZLQLISHHESU-UHFFFAOYSA-N
MW343.68 g/mol
LogP5.64
Rot. Bonds6

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

4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene (PubChem CID 66048357) has the molecular formula C17H17Cl3O and a molecular weight of 343.68 g/mol. Its IUPAC name is 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
PubChem CID66048357
Molecular FormulaC17H17Cl3O
Molecular Weight343.68 g/mol
Exact Mass342.03
IUPAC Name4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1CC(CCl)Cc1cccc(Cl)c1
InChIInChI=1S/C17H17Cl3O/c1-21-17-6-5-16(20)10-14(17)8-13(11-18)7-12-3-2-4-15(19)9-12/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyKUDZLQLISHHESU-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.68
LogP ≤ 55.64
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-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-1-methoxy-4-methylbenzene
CID 66043726
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
CID 66034057
4-chloro-1-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-2-fluorobenzene
CID 114861945
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66049437
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
2-bromo-4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1-methoxybenzene
CID 66050769
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene (CID 66048357) is 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene is COc1ccc(Cl)cc1CC(CCl)Cc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene?
The InChIKey is KUDZLQLISHHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3O/c1-21-17-6-5-16(20)10-14(17)8-13(11-18)7-12-3-2-4-15(19)9-12/h2-6,9-10,13H,7-8,11H2,1H3.
What are the key properties of 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene?
4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene has a molecular weight of 343.68 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene is sourced from PubChem (CID 66048357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).