1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol

C30H42O2 — CID 86228586

IUPAC1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol
SMILESCCCc1ccc(C2CCC(O)(C3CCC(O)(c4ccc(CCC)cc4)CC3)CC2)cc1
InChIInChI=1S/C30H42O2/c1-3-5-23-7-11-25(12-8-23)26-15-19-29(31,20-16-26)28-17-21-30(32,22-18-28)27-13-9-24(6-4-2)10-14-27/h7-14,26,28,31-32H,3-6,15-22H2,1-2H3
InChIKeyZTELQFDXSWOORP-UHFFFAOYSA-N
MW434.66 g/mol
LogP7.06
Rot. Bonds7

About 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol

1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol (PubChem CID 86228586) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol
PubChem CID86228586
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol
SMILESCCCc1ccc(C2CCC(O)(C3CCC(O)(c4ccc(CCC)cc4)CC3)CC2)cc1
InChIInChI=1S/C30H42O2/c1-3-5-23-7-11-25(12-8-23)26-15-19-29(31,20-16-26)28-17-21-30(32,22-18-28)27-13-9-24(6-4-2)10-14-27/h7-14,26,28,31-32H,3-6,15-22H2,1-2H3
InChIKeyZTELQFDXSWOORP-UHFFFAOYSA-N
XLogP7.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol with MolForge

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Related Compounds

4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 19986751
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
[4-hydroxy-4-(4-propylphenyl)cyclohexyl] propyl carbonate
CID 173400083
3-(4-propylphenyl)thietan-3-ol
CID 130914921
4-(4-propylphenyl)oxepan-4-ol
CID 65080658
4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
CID 19429970
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol?
The IUPAC name of 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol (CID 86228586) is 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol?
The canonical SMILES for 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol is CCCc1ccc(C2CCC(O)(C3CCC(O)(c4ccc(CCC)cc4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol?
The InChIKey is ZTELQFDXSWOORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-3-5-23-7-11-25(12-8-23)26-15-19-29(31,20-16-26)28-17-21-30(32,22-18-28)27-13-9-24(6-4-2)10-14-27/h7-14,26,28,31-32H,3-6,15-22H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol?
1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol has a molecular weight of 434.66 g/mol, XLogP of 7.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 86228586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).