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)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
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
MW372.51 g/mol
LogP4.17
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 372.51 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 Weight372.51 g/mol
Exact Mass372.23
IUPAC Name2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol
SMILESCC(C)CCC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
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
XLogP4.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol with MolForge

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Related Compounds

2-[4-(3,6-dimethylheptan-3-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxyethanol
CID 46781370
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]dodecan-2-yl]phenoxy]ethanol
CID 139685224
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid
CID 19746566
CID 162335780
CID 162335780
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
2-[4-(2-methyloctan-2-yl)phenoxy]ethanol
CID 102437281
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
CID 14533806
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158

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)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.
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 372.51 g/mol, XLogP of 4.17, 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).