2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol

C23H24O4 — CID 67511777

IUPAC2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
SMILESCc1cc(-c2ccc(-c3ccc(OCCO)cc3)cc2)ccc1OCCO
InChIInChI=1S/C23H24O4/c1-17-16-21(8-11-23(17)27-15-13-25)20-4-2-18(3-5-20)19-6-9-22(10-7-19)26-14-12-24/h2-11,16,24-25H,12-15H2,1H3
InChIKeyYAYIDFNFDGQXBA-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.07
Rot. Bonds8

About 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol

2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol (PubChem CID 67511777) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
PubChem CID67511777
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
SMILESCc1cc(-c2ccc(-c3ccc(OCCO)cc3)cc2)ccc1OCCO
InChIInChI=1S/C23H24O4/c1-17-16-21(8-11-23(17)27-15-13-25)20-4-2-18(3-5-20)19-6-9-22(10-7-19)26-14-12-24/h2-11,16,24-25H,12-15H2,1H3
InChIKeyYAYIDFNFDGQXBA-UHFFFAOYSA-N
XLogP4.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
CID 82117712
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
2-(2-methyl-4-thiophen-2-ylphenoxy)ethanol
CID 143820107
2-[2-(2-hydroxyethoxy)-5-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenyl]ethanol
CID 19034529
CID 162335780
CID 162335780
2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate
CID 23134391
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
3-[4-[4-[4-(3-hydroxypropoxy)-3-pentylphenyl]phenyl]phenoxy]propan-1-ol
CID 174566035
4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
CID 60928966
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol (CID 67511777) is 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol is Cc1cc(-c2ccc(-c3ccc(OCCO)cc3)cc2)ccc1OCCO.
What is the InChIKey of 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol?
The InChIKey is YAYIDFNFDGQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-17-16-21(8-11-23(17)27-15-13-25)20-4-2-18(3-5-20)19-6-9-22(10-7-19)26-14-12-24/h2-11,16,24-25H,12-15H2,1H3.
What are the key properties of 2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol?
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol has a molecular weight of 364.44 g/mol, XLogP of 4.07, 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)-3-methylphenyl]phenyl]phenoxy]ethanol is sourced from PubChem (CID 67511777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).