1-chloro-4-(2-methyl-1-phenylpropyl)benzene

C16H17Cl — CID 22890486

IUPAC1-chloro-4-(2-methyl-1-phenylpropyl)benzene
SMILESCC(C)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl/c1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,16H,1-2H3
InChIKeyVMRVHZDETRANPX-UHFFFAOYSA-N
MW244.77 g/mol
LogP5.13
Rot. Bonds3

About 1-chloro-4-(2-methyl-1-phenylpropyl)benzene

1-chloro-4-(2-methyl-1-phenylpropyl)benzene (PubChem CID 22890486) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-chloro-4-(2-methyl-1-phenylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-methyl-1-phenylpropyl)benzene
PubChem CID22890486
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name1-chloro-4-(2-methyl-1-phenylpropyl)benzene
SMILESCC(C)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl/c1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,16H,1-2H3
InChIKeyVMRVHZDETRANPX-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzhydryl-4-chlorobenzene
CID 13050205
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methyl-1-phenylpropyl)benzene?
The IUPAC name of 1-chloro-4-(2-methyl-1-phenylpropyl)benzene (CID 22890486) is 1-chloro-4-(2-methyl-1-phenylpropyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-methyl-1-phenylpropyl)benzene?
The canonical SMILES for 1-chloro-4-(2-methyl-1-phenylpropyl)benzene is CC(C)C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-methyl-1-phenylpropyl)benzene?
The InChIKey is VMRVHZDETRANPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14/h3-12,16H,1-2H3.
What are the key properties of 1-chloro-4-(2-methyl-1-phenylpropyl)benzene?
1-chloro-4-(2-methyl-1-phenylpropyl)benzene has a molecular weight of 244.77 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methyl-1-phenylpropyl)benzene is sourced from PubChem (CID 22890486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).