4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol

C29H46O — CID 71102889

IUPAC4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
SMILESC[C@H](CC1CCC(C2CCC(CCC3CCC(O)CC3)CC2)CC1)c1ccccc1
InChIInChI=1S/C29H46O/c1-22(26-5-3-2-4-6-26)21-25-11-17-28(18-12-25)27-15-9-23(10-16-27)7-8-24-13-19-29(30)20-14-24/h2-6,22-25,27-30H,7-21H2,1H3/t22-,23?,24?,25?,27?,28?,29?/m1/s1
InChIKeyDZKFMEYJFJHURS-CHLXYZODSA-N
MW410.69 g/mol
LogP8.12
Rot. Bonds7

About 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol

4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol (PubChem CID 71102889) has the molecular formula C29H46O and a molecular weight of 410.69 g/mol. Its IUPAC name is 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
PubChem CID71102889
Molecular FormulaC29H46O
Molecular Weight410.69 g/mol
Exact Mass410.35
IUPAC Name4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
SMILESC[C@H](CC1CCC(C2CCC(CCC3CCC(O)CC3)CC2)CC1)c1ccccc1
InChIInChI=1S/C29H46O/c1-22(26-5-3-2-4-6-26)21-25-11-17-28(18-12-25)27-15-9-23(10-16-27)7-8-24-13-19-29(30)20-14-24/h2-6,22-25,27-30H,7-21H2,1H3/t22-,23?,24?,25?,27?,28?,29?/m1/s1
InChIKeyDZKFMEYJFJHURS-CHLXYZODSA-N
XLogP8.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
CID 91009695
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
2-fluoro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]phenol
CID 71102900
1-chloro-4-[(2R)-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-2-yl]benzene
CID 139753503
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol (CID 71102889) is 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol is C[C@H](CC1CCC(C2CCC(CCC3CCC(O)CC3)CC2)CC1)c1ccccc1.
What is the InChIKey of 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol?
The InChIKey is DZKFMEYJFJHURS-CHLXYZODSA-N. The full InChI is InChI=1S/C29H46O/c1-22(26-5-3-2-4-6-26)21-25-11-17-28(18-12-25)27-15-9-23(10-16-27)7-8-24-13-19-29(30)20-14-24/h2-6,22-25,27-30H,7-21H2,1H3/t22-,23?,24?,25?,27?,28?,29?/m1/s1.
What are the key properties of 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol?
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol has a molecular weight of 410.69 g/mol, XLogP of 8.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 71102889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).