1-chloro-2-phenyl-4-propan-2-ylbenzene

C15H15Cl — CID 59853112

IUPAC1-chloro-2-phenyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C15H15Cl/c1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyAEBFKBODTNUNMF-UHFFFAOYSA-N
MW230.74 g/mol
LogP5.13
Rot. Bonds2

About 1-chloro-2-phenyl-4-propan-2-ylbenzene

1-chloro-2-phenyl-4-propan-2-ylbenzene (PubChem CID 59853112) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-chloro-2-phenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-phenyl-4-propan-2-ylbenzene
PubChem CID59853112
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-chloro-2-phenyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C15H15Cl/c1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyAEBFKBODTNUNMF-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.74
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
4-methyl-1-phenyl-6-propan-2-ylnaphthalene
CID 157491424
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
2,6-diphenyl-4-propan-2-ylbenzonitrile
CID 139441487
copper;cumene;manganese
CID 175691003
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phenyl-4-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-phenyl-4-propan-2-ylbenzene (CID 59853112) is 1-chloro-2-phenyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-phenyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-phenyl-4-propan-2-ylbenzene is CC(C)c1ccc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of 1-chloro-2-phenyl-4-propan-2-ylbenzene?
The InChIKey is AEBFKBODTNUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-11(2)13-8-9-15(16)14(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 1-chloro-2-phenyl-4-propan-2-ylbenzene?
1-chloro-2-phenyl-4-propan-2-ylbenzene has a molecular weight of 230.74 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 59853112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).