3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol

C30H42O — CID 21265168

IUPAC3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
SMILESCC1CCC(C2CCC(CCc3ccc(-c4ccc(CCCO)cc4)cc3)CC2)CC1
InChIInChI=1S/C30H42O/c1-23-4-14-27(15-5-23)28-18-10-25(11-19-28)6-7-26-12-20-30(21-13-26)29-16-8-24(9-17-29)3-2-22-31/h8-9,12-13,16-17,20-21,23,25,27-28,31H,2-7,10-11,14-15,18-19,22H2,1H3
InChIKeyIYRVVAKZFXTEID-UHFFFAOYSA-N
MW418.67 g/mol
LogP7.84
Rot. Bonds8

About 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol

3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol (PubChem CID 21265168) has the molecular formula C30H42O and a molecular weight of 418.67 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
PubChem CID21265168
Molecular FormulaC30H42O
Molecular Weight418.67 g/mol
Exact Mass418.32
IUPAC Name3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
SMILESCC1CCC(C2CCC(CCc3ccc(-c4ccc(CCCO)cc4)cc3)CC2)CC1
InChIInChI=1S/C30H42O/c1-23-4-14-27(15-5-23)28-18-10-25(11-19-28)6-7-26-12-20-30(21-13-26)29-16-8-24(9-17-29)3-2-22-31/h8-9,12-13,16-17,20-21,23,25,27-28,31H,2-7,10-11,14-15,18-19,22H2,1H3
InChIKeyIYRVVAKZFXTEID-UHFFFAOYSA-N
XLogP7.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol with MolForge

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Related Compounds

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
CID 20632303
CID 20632303
1,4-bis(4-methylcyclohexyl)benzene;1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene;1,2,3-trimethyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trimethyl-4-(4-methylphenyl)benzene
CID 159498675
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol (CID 21265168) is 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol is CC1CCC(C2CCC(CCc3ccc(-c4ccc(CCCO)cc4)cc3)CC2)CC1.
What is the InChIKey of 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol?
The InChIKey is IYRVVAKZFXTEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O/c1-23-4-14-27(15-5-23)28-18-10-25(11-19-28)6-7-26-12-20-30(21-13-26)29-16-8-24(9-17-29)3-2-22-31/h8-9,12-13,16-17,20-21,23,25,27-28,31H,2-7,10-11,14-15,18-19,22H2,1H3.
What are the key properties of 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol?
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol has a molecular weight of 418.67 g/mol, XLogP of 7.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 21265168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).