1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene

C24H37Cl — CID 139753503

IUPAC1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
SMILESCCCC1CCC(C2CCC(C[C@@H](C)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H37Cl/c1-3-4-19-5-9-22(10-6-19)23-11-7-20(8-12-23)17-18(2)21-13-15-24(25)16-14-21/h13-16,18-20,22-23H,3-12,17H2,1-2H3/t18-,19?,20?,22?,23?/m1/s1
InChIKeyNFMVBEVVJACJJD-BSODEFTDSA-N
MW361.01 g/mol
LogP8.25
Rot. Bonds6

About 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene

1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene (PubChem CID 139753503) has the molecular formula C24H37Cl and a molecular weight of 361.01 g/mol. Its IUPAC name is 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
PubChem CID139753503
Molecular FormulaC24H37Cl
Molecular Weight361.01 g/mol
Exact Mass360.26
IUPAC Name1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
SMILESCCCC1CCC(C2CCC(C[C@@H](C)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H37Cl/c1-3-4-19-5-9-22(10-6-19)23-11-7-20(8-12-23)17-18(2)21-13-15-24(25)16-14-21/h13-16,18-20,22-23H,3-12,17H2,1-2H3/t18-,19?,20?,22?,23?/m1/s1
InChIKeyNFMVBEVVJACJJD-BSODEFTDSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.01
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
1-propyl-4-[2-[4-[(2R)-1-(4-propylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 139753533
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
1-[(2R)-1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]propan-2-yl]-4-propylbenzene
CID 139753529
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene (CID 139753503) is 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene is CCCC1CCC(C2CCC(C[C@@H](C)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene?
The InChIKey is NFMVBEVVJACJJD-BSODEFTDSA-N. The full InChI is InChI=1S/C24H37Cl/c1-3-4-19-5-9-22(10-6-19)23-11-7-20(8-12-23)17-18(2)21-13-15-24(25)16-14-21/h13-16,18-20,22-23H,3-12,17H2,1-2H3/t18-,19?,20?,22?,23?/m1/s1.
What are the key properties of 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene?
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene has a molecular weight of 361.01 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene is sourced from PubChem (CID 139753503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).