1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene

C16H15Cl3 — CID 104846458

IUPAC1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
SMILESCC(Cc1cc(Cl)ccc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C16H15Cl3/c1-11(16(19)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)18/h2-8,10-11,16H,9H2,1H3
InChIKeyXEFQZFCNFIIWPO-UHFFFAOYSA-N
MW313.66 g/mol
LogP6.15
Rot. Bonds4

About 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene

1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene (PubChem CID 104846458) has the molecular formula C16H15Cl3 and a molecular weight of 313.66 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
PubChem CID104846458
Molecular FormulaC16H15Cl3
Molecular Weight313.66 g/mol
Exact Mass312.02
IUPAC Name1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
SMILESCC(Cc1cc(Cl)ccc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C16H15Cl3/c1-11(16(19)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)18/h2-8,10-11,16H,9H2,1H3
InChIKeyXEFQZFCNFIIWPO-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.66
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
4-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)-1-fluorobenzene
CID 104846335
3-(2,5-dichlorophenyl)-2-phenylpropan-1-ol
CID 66059419
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
[(1S)-2-(2,5-dichlorophenyl)-1-phenylethyl] thiocyanate
CID 2303123
1-(3-bromo-2-methyl-3-phenylpropyl)-2,4-dichlorobenzene
CID 104846527
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
The IUPAC name of 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene (CID 104846458) is 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene is CC(Cc1cc(Cl)ccc1Cl)C(Cl)c1ccccc1.
What is the InChIKey of 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
The InChIKey is XEFQZFCNFIIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3/c1-11(16(19)12-5-3-2-4-6-12)9-13-10-14(17)7-8-15(13)18/h2-8,10-11,16H,9H2,1H3.
What are the key properties of 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene?
1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene has a molecular weight of 313.66 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene is sourced from PubChem (CID 104846458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).