2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol

C43H54O8 — CID 175486733

IUPAC2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
SMILESOCCOc1ccccc1C1(c2ccccc2OCCO)CCCC1.OCCOc1ccccc1C1(c2ccccc2OCCO)CCCCC1
InChIInChI=1S/C22H28O4.C21H26O4/c23-14-16-25-20-10-4-2-8-18(20)22(12-6-1-7-13-22)19-9-3-5-11-21(19)26-17-15-24;22-13-15-24-19-9-3-1-7-17(19)21(11-5-6-12-21)18-8-2-4-10-20(18)25-16-14-23/h2-5,8-11,23-24H,1,6-7,12-17H2;1-4,7-10,22-23H,5-6,11-16H2
InChIKeyZRDJNLRARFLJKJ-UHFFFAOYSA-N
MW698.90 g/mol
LogP6.97
Rot. Bonds16

About 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol

2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol (PubChem CID 175486733) has the molecular formula C43H54O8 and a molecular weight of 698.90 g/mol. Its IUPAC name is 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
PubChem CID175486733
Molecular FormulaC43H54O8
Molecular Weight698.90 g/mol
Exact Mass698.38
IUPAC Name2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
SMILESOCCOc1ccccc1C1(c2ccccc2OCCO)CCCC1.OCCOc1ccccc1C1(c2ccccc2OCCO)CCCCC1
InChIInChI=1S/C22H28O4.C21H26O4/c23-14-16-25-20-10-4-2-8-18(20)22(12-6-1-7-13-22)19-9-3-5-11-21(19)26-17-15-24;22-13-15-24-19-9-3-1-7-17(19)21(11-5-6-12-21)18-8-2-4-10-20(18)25-16-14-23/h2-5,8-11,23-24H,1,6-7,12-17H2;1-4,7-10,22-23H,5-6,11-16H2
InChIKeyZRDJNLRARFLJKJ-UHFFFAOYSA-N
XLogP6.97
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.90
LogP ≤ 56.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol (CID 175486733) is 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol is OCCOc1ccccc1C1(c2ccccc2OCCO)CCCC1.OCCOc1ccccc1C1(c2ccccc2OCCO)CCCCC1.
What is the InChIKey of 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
The InChIKey is ZRDJNLRARFLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4.C21H26O4/c23-14-16-25-20-10-4-2-8-18(20)22(12-6-1-7-13-22)19-9-3-5-11-21(19)26-17-15-24;22-13-15-24-19-9-3-1-7-17(19)21(11-5-6-12-21)18-8-2-4-10-20(18)25-16-14-23/h2-5,8-11,23-24H,1,6-7,12-17H2;1-4,7-10,22-23H,5-6,11-16H2.
What are the key properties of 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol?
2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol has a molecular weight of 698.90 g/mol, XLogP of 6.97, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclohexyl]phenoxy]ethanol;2-[2-[1-[2-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol is sourced from PubChem (CID 175486733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).