2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol

C22H26O4 — CID 67512320

IUPAC2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2=CCC(c3ccc(OCCO)cc3)CC2)cc1
InChIInChI=1S/C22H26O4/c23-13-15-25-21-9-5-19(6-10-21)17-1-2-18(4-3-17)20-7-11-22(12-8-20)26-16-14-24/h1,5-12,18,23-24H,2-4,13-16H2
InChIKeyFHKBFBTUDJFZCC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.78
Rot. Bonds8

About 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol

2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol (PubChem CID 67512320) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol
PubChem CID67512320
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2=CCC(c3ccc(OCCO)cc3)CC2)cc1
InChIInChI=1S/C22H26O4/c23-13-15-25-21-9-5-19(6-10-21)17-1-2-18(4-3-17)20-7-11-22(12-8-20)26-16-14-24/h1,5-12,18,23-24H,2-4,13-16H2
InChIKeyFHKBFBTUDJFZCC-UHFFFAOYSA-N
XLogP3.78
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol (CID 67512320) is 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol is OCCOc1ccc(C2=CCC(c3ccc(OCCO)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol?
The InChIKey is FHKBFBTUDJFZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c23-13-15-25-21-9-5-19(6-10-21)17-1-2-18(4-3-17)20-7-11-22(12-8-20)26-16-14-24/h1,5-12,18,23-24H,2-4,13-16H2.
What are the key properties of 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol?
2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol has a molecular weight of 354.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol is sourced from PubChem (CID 67512320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).