ethane;methanol;(1-phenylcyclohexyl)benzene

C26H46O2 — CID 91580542

IUPACethane;methanol;(1-phenylcyclohexyl)benzene
SMILESCC.CC.CC.CO.CO.c1ccc(C2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C18H20.3C2H6.2CH4O/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;5*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;3*1-2H3;2*2H,1H3
InChIKeyBHMCXCXUYYZKQS-UHFFFAOYSA-N
MW390.65 g/mol
LogP7.23
Rot. Bonds2

About ethane;methanol;(1-phenylcyclohexyl)benzene

ethane;methanol;(1-phenylcyclohexyl)benzene (PubChem CID 91580542) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is ethane;methanol;(1-phenylcyclohexyl)benzene.

Molecular Properties

Compound Nameethane;methanol;(1-phenylcyclohexyl)benzene
PubChem CID91580542
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Nameethane;methanol;(1-phenylcyclohexyl)benzene
SMILESCC.CC.CC.CO.CO.c1ccc(C2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C18H20.3C2H6.2CH4O/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;5*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;3*1-2H3;2*2H,1H3
InChIKeyBHMCXCXUYYZKQS-UHFFFAOYSA-N
XLogP7.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diphenylcyclotetradecane
CID 175822005
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
ethane;1-phenylcyclohexan-1-ol
CID 144640846
4,4-diphenylcyclotridecan-1-amine
CID 175822045
[4-(1-phenylcyclohexyl)phenyl] dihydrogen phosphate
CID 16734689
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
1-ethyl-2-(1-phenylcyclohexyl)benzene
CID 173103892
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine
CID 20665535
copper;1-phenylcyclohexan-1-ol
CID 174727157

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;(1-phenylcyclohexyl)benzene?
The IUPAC name of ethane;methanol;(1-phenylcyclohexyl)benzene (CID 91580542) is ethane;methanol;(1-phenylcyclohexyl)benzene.
What is the SMILES notation for ethane;methanol;(1-phenylcyclohexyl)benzene?
The canonical SMILES for ethane;methanol;(1-phenylcyclohexyl)benzene is CC.CC.CC.CO.CO.c1ccc(C2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of ethane;methanol;(1-phenylcyclohexyl)benzene?
The InChIKey is BHMCXCXUYYZKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.3C2H6.2CH4O/c1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;5*1-2/h1-2,4-7,10-13H,3,8-9,14-15H2;3*1-2H3;2*2H,1H3.
What are the key properties of ethane;methanol;(1-phenylcyclohexyl)benzene?
ethane;methanol;(1-phenylcyclohexyl)benzene has a molecular weight of 390.65 g/mol, XLogP of 7.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;(1-phenylcyclohexyl)benzene is sourced from PubChem (CID 91580542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).