2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol

C23H32O4 — CID 21187272

IUPAC2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol
SMILESCC(C)CCC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCO
InChIInChI=1S/C23H32O4/c1-18(2)12-13-23(3,19-4-8-21(9-5-19)26-16-14-24)20-6-10-22(11-7-20)27-17-15-25/h4-11,18,24-25H,12-17H2,1-3H3
InChIKeyAXYPMEHCDPWKCC-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.20
Rot. Bonds11

About 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol

2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol (PubChem CID 21187272) has the molecular formula C23H32O4 and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol
PubChem CID21187272
Molecular FormulaC23H32O4
Molecular Weight372.50 g/mol
Exact Mass372.23
IUPAC Name2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol
SMILESCC(C)CCC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCO
InChIInChI=1S/C23H32O4/c1-18(2)12-13-23(3,19-4-8-21(9-5-19)26-16-14-24)20-6-10-22(11-7-20)27-17-15-25/h4-11,18,24-25H,12-17H2,1-3H3
InChIKeyAXYPMEHCDPWKCC-UHFFFAOYSA-N
XLogP5.20
TPSA58.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity354

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol (CID 21187272) is 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol is CC(C)CCC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCO.
What is the InChIKey of 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol?
The InChIKey is AXYPMEHCDPWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-18(2)12-13-23(3,19-4-8-21(9-5-19)26-16-14-24)20-6-10-22(11-7-20)27-17-15-25/h4-11,18,24-25H,12-17H2,1-3H3.
What are the key properties of 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol?
2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol has a molecular weight of 372.50 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-Hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol is sourced from PubChem (CID 21187272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).