[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol

C23H36O2 — CID 70829402

IUPAC[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
SMILESCCCC1CCC(C2CCC(CCc3ccc(CO)cc3)CC2)OC1
InChIInChI=1S/C23H36O2/c1-2-3-21-12-15-23(25-17-21)22-13-10-19(11-14-22)5-4-18-6-8-20(16-24)9-7-18/h6-9,19,21-24H,2-5,10-17H2,1H3
InChIKeyQETBEQHOSLKWDF-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.51
Rot. Bonds7

About [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol

[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol (PubChem CID 70829402) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
PubChem CID70829402
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
SMILESCCCC1CCC(C2CCC(CCc3ccc(CO)cc3)CC2)OC1
InChIInChI=1S/C23H36O2/c1-2-3-21-12-15-23(25-17-21)22-13-10-19(11-14-22)5-4-18-6-8-20(16-24)9-7-18/h6-9,19,21-24H,2-5,10-17H2,1H3
InChIKeyQETBEQHOSLKWDF-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127
(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
CID 102407968
[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
CID 140501060
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
CID 58620567
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
CID 58535630
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
6-propyl-3-(5-propyloxan-2-yl)-3,4-dihydro-2H-pyran
CID 118583674
2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorophenyl]ethyl]cyclohexyl]-5-propyloxane
CID 118592700

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol?
The IUPAC name of [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol (CID 70829402) is [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol is CCCC1CCC(C2CCC(CCc3ccc(CO)cc3)CC2)OC1.
What is the InChIKey of [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol?
The InChIKey is QETBEQHOSLKWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-2-3-21-12-15-23(25-17-21)22-13-10-19(11-14-22)5-4-18-6-8-20(16-24)9-7-18/h6-9,19,21-24H,2-5,10-17H2,1H3.
What are the key properties of [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol?
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol has a molecular weight of 344.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol is sourced from PubChem (CID 70829402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).