2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol

C18H22O4 — CID 20544404

IUPAC2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
SMILESCC(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChIInChI=1S/C18H22O4/c1-14(15-2-6-17(7-3-15)21-12-10-19)16-4-8-18(9-5-16)22-13-11-20/h2-9,14,19-20H,10-13H2,1H3
InChIKeyTZIYYPHSIYMLQN-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.58
Rot. Bonds8

About 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol

2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol (PubChem CID 20544404) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
PubChem CID20544404
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
SMILESCC(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChIInChI=1S/C18H22O4/c1-14(15-2-6-17(7-3-15)21-12-10-19)16-4-8-18(9-5-16)22-13-11-20/h2-9,14,19-20H,10-13H2,1H3
InChIKeyTZIYYPHSIYMLQN-UHFFFAOYSA-N
XLogP2.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminopropan-2-yl)phenoxy]ethanol
CID 117285604
CID 162335780
CID 162335780
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
3,4-bis[2-[4-(2-hydroxyethoxy)phenyl]propyl]benzene-1,2-diol
CID 172792943
2,6-dihydroxy-3,5-bis[4-(2-hydroxyethoxy)phenyl]-2,6-dimethylheptan-4-one
CID 54106076
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
3-[4-(2-hydroxyethoxy)phenyl]pent-4-en-2-one
CID 70468095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol (CID 20544404) is 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol is CC(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol?
The InChIKey is TZIYYPHSIYMLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-14(15-2-6-17(7-3-15)21-12-10-19)16-4-8-18(9-5-16)22-13-11-20/h2-9,14,19-20H,10-13H2,1H3.
What are the key properties of 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol?
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol has a molecular weight of 302.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol is sourced from PubChem (CID 20544404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).