1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene

C16H15Cl3 — CID 55199111

IUPAC1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(C(Cl)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl3/c1-10(2)11-6-8-12(9-7-11)15(18)13-4-3-5-14(17)16(13)19/h3-10,15H,1-2H3
InChIKeyYAHPHXHQDNXEGE-UHFFFAOYSA-N
MW313.66 g/mol
LogP6.45
Rot. Bonds3

About 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene

1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene (PubChem CID 55199111) has the molecular formula C16H15Cl3 and a molecular weight of 313.66 g/mol. Its IUPAC name is 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
PubChem CID55199111
Molecular FormulaC16H15Cl3
Molecular Weight313.66 g/mol
Exact Mass312.02
IUPAC Name1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(C(Cl)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl3/c1-10(2)11-6-8-12(9-7-11)15(18)13-4-3-5-14(17)16(13)19/h3-10,15H,1-2H3
InChIKeyYAHPHXHQDNXEGE-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.66
LogP ≤ 56.45
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-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 63428742
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-propan-2-ylbenzene
CID 79218072
1-chloro-3-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methylbenzene
CID 107099070
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
7-[chloro-(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429460
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
1-[chloro-(2-ethoxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63435434
1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 63436330
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene (CID 55199111) is 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene is CC(C)c1ccc(C(Cl)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
The InChIKey is YAHPHXHQDNXEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3/c1-10(2)11-6-8-12(9-7-11)15(18)13-4-3-5-14(17)16(13)19/h3-10,15H,1-2H3.
What are the key properties of 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene?
1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene has a molecular weight of 313.66 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 55199111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).