1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene

C19H22Cl2 — CID 79444007

IUPAC1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene
SMILESCc1cccc(C(CCl)(CCl)CCCc2ccccc2)c1
InChIInChI=1S/C19H22Cl2/c1-16-7-5-11-18(13-16)19(14-20,15-21)12-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3
InChIKeyIRYJQZYKTPYYNQ-UHFFFAOYSA-N
MW321.29 g/mol
LogP5.73
Rot. Bonds7

About 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene

1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene (PubChem CID 79444007) has the molecular formula C19H22Cl2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene
PubChem CID79444007
Molecular FormulaC19H22Cl2
Molecular Weight321.29 g/mol
Exact Mass320.11
IUPAC Name1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene
SMILESCc1cccc(C(CCl)(CCl)CCCc2ccccc2)c1
InChIInChI=1S/C19H22Cl2/c1-16-7-5-11-18(13-16)19(14-20,15-21)12-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3
InChIKeyIRYJQZYKTPYYNQ-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.29
LogP ≤ 55.73
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-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methylbenzene
CID 79453481
1-[1-chloro-2-(chloromethyl)-4-ethoxybutan-2-yl]-3-methylbenzene
CID 79453993
1-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]-3-methylbenzene
CID 79453566
(5-chloro-4,4-dimethylpentyl)benzene
CID 66059754
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-3-methylbenzene
CID 79453748
2-ethyl-N-methyl-2,5-diphenylpentan-1-amine
CID 63508294
1-chloro-3-[1-chloro-2-(chloromethyl)hexan-2-yl]benzene
CID 79453495
1-[1-bromo-2-(bromomethyl)hexan-2-yl]-3-methylbenzene
CID 79456306
2-(3-chlorophenyl)-5-phenylpentan-2-amine
CID 55095968
1-[3-chloro-2-(chloromethyl)-2-(3-methylphenyl)propyl]-2,3-difluorobenzene
CID 79444033
[4-(chloromethyl)-4-methylheptyl]benzene
CID 66036487
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene?
The IUPAC name of 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene (CID 79444007) is 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene.
What is the SMILES notation for 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene?
The canonical SMILES for 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene is Cc1cccc(C(CCl)(CCl)CCCc2ccccc2)c1.
What is the InChIKey of 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene?
The InChIKey is IRYJQZYKTPYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2/c1-16-7-5-11-18(13-16)19(14-20,15-21)12-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,13H,6,10,12,14-15H2,1H3.
What are the key properties of 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene?
1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene has a molecular weight of 321.29 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(chloromethyl)-5-phenylpentan-2-yl]-3-methylbenzene is sourced from PubChem (CID 79444007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).