1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene

C27H35Cl — CID 58698353

IUPAC1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
SMILESC[C@H](CC1CCC(C2CCC(c3ccc(Cl)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C27H35Cl/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-6,15-18,20-21,23-25H,7-14,19H2,1H3/t20-,21?,23?,24?,25?/m1/s1
InChIKeyKDIMFWOCURLEEX-MROVBQIPSA-N
MW395.03 g/mol
LogP8.61
Rot. Bonds5

About 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene

1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 58698353) has the molecular formula C27H35Cl and a molecular weight of 395.03 g/mol. Its IUPAC name is 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
PubChem CID58698353
Molecular FormulaC27H35Cl
Molecular Weight395.03 g/mol
Exact Mass394.24
IUPAC Name1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
SMILESC[C@H](CC1CCC(C2CCC(c3ccc(Cl)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C27H35Cl/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-6,15-18,20-21,23-25H,7-14,19H2,1H3/t20-,21?,23?,24?,25?/m1/s1
InChIKeyKDIMFWOCURLEEX-MROVBQIPSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.03
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503
4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzonitrile
CID 21052969
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
5-[4-(4-chlorophenyl)cyclohexyl]-1,3-difluoro-2-[(2R)-2-phenylpropyl]benzene
CID 58698585
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 90787490

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene (CID 58698353) is 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene is C[C@H](CC1CCC(C2CCC(c3ccc(Cl)cc3)CC2)CC1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is KDIMFWOCURLEEX-MROVBQIPSA-N. The full InChI is InChI=1S/C27H35Cl/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-6,15-18,20-21,23-25H,7-14,19H2,1H3/t20-,21?,23?,24?,25?/m1/s1.
What are the key properties of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 395.03 g/mol, XLogP of 8.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 58698353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).