4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene

C19H23Cl — CID 146207453

IUPAC4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
SMILESCC(C)Cc1cccc(-c2cc(Cl)ccc2C(C)C)c1
InChIInChI=1S/C19H23Cl/c1-13(2)10-15-6-5-7-16(11-15)19-12-17(20)8-9-18(19)14(3)4/h5-9,11-14H,10H2,1-4H3
InChIKeyAKDNVQVYOXIZHN-UHFFFAOYSA-N
MW286.85 g/mol
LogP6.33
Rot. Bonds4

About 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene

4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene (PubChem CID 146207453) has the molecular formula C19H23Cl and a molecular weight of 286.85 g/mol. Its IUPAC name is 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
PubChem CID146207453
Molecular FormulaC19H23Cl
Molecular Weight286.85 g/mol
Exact Mass286.15
IUPAC Name4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
SMILESCC(C)Cc1cccc(-c2cc(Cl)ccc2C(C)C)c1
InChIInChI=1S/C19H23Cl/c1-13(2)10-15-6-5-7-16(11-15)19-12-17(20)8-9-18(19)14(3)4/h5-9,11-14H,10H2,1-4H3
InChIKeyAKDNVQVYOXIZHN-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.85
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545418
2-(5-chloro-2-propan-2-ylphenyl)naphthalene
CID 142314685
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
1-chloro-4-[[3-(2-methylpropyl)phenyl]methyl]benzene
CID 178142116
1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine
CID 146207426
3,5-dichloro-6-[3-(2-methylpropyl)phenyl]pyridin-2-amine
CID 102753955
1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine
CID 140524839
3-fluoro-4-[3-(2-methylpropyl)phenyl]aniline
CID 116545257
3-fluoro-4-[3-(2-methylpropyl)phenyl]benzaldehyde
CID 116545289
2-propan-2-ylbicyclo[3.1.0]hexa-1,3,5-triene
CID 69105545
2-chloro-4-[3-(2-methylpropyl)phenyl]pyrimidine
CID 116546024
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene?
The IUPAC name of 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene (CID 146207453) is 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene.
What is the SMILES notation for 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene?
The canonical SMILES for 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene is CC(C)Cc1cccc(-c2cc(Cl)ccc2C(C)C)c1.
What is the InChIKey of 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene?
The InChIKey is AKDNVQVYOXIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl/c1-13(2)10-15-6-5-7-16(11-15)19-12-17(20)8-9-18(19)14(3)4/h5-9,11-14H,10H2,1-4H3.
What are the key properties of 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene?
4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene has a molecular weight of 286.85 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene is sourced from PubChem (CID 146207453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).