2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol

C23H32O6 — CID 67586644

IUPAC2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
SMILESCC(OCCO)Oc1ccccc1C(C)(C)c1ccccc1OC(C)OCCO
InChIInChI=1S/C23H32O6/c1-17(26-15-13-24)28-21-11-7-5-9-19(21)23(3,4)20-10-6-8-12-22(20)29-18(2)27-16-14-25/h5-12,17-18,24-25H,13-16H2,1-4H3
InChIKeyCLCFGLPORXMICA-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.48
Rot. Bonds12

About 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol

2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol (PubChem CID 67586644) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
PubChem CID67586644
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
SMILESCC(OCCO)Oc1ccccc1C(C)(C)c1ccccc1OC(C)OCCO
InChIInChI=1S/C23H32O6/c1-17(26-15-13-24)28-21-11-7-5-9-19(21)23(3,4)20-10-6-8-12-22(20)29-18(2)27-16-14-25/h5-12,17-18,24-25H,13-16H2,1-4H3
InChIKeyCLCFGLPORXMICA-UHFFFAOYSA-N
XLogP3.48
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22011551
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
CID 174757084
1-[4-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-1-phenylprop-2-yn-1-ol
CID 23298971
2-butoxy-3-[2-[2-[2-[3-butoxy-3-hydroxy-4-(oxiran-2-yl)butan-2-yl]oxyphenyl]propan-2-yl]phenoxy]-1-(oxiran-2-yl)butan-2-ol
CID 57197449
1-[2-(trifluoromethyl)phenoxy]ethyl acetate
CID 69255536
2,6-dimethyl-4-(2-propan-2-yloxyphenyl)heptan-4-ol
CID 114865145
2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
CID 10999932
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
CID 19890139
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 83224823
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol (CID 67586644) is 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol is CC(OCCO)Oc1ccccc1C(C)(C)c1ccccc1OC(C)OCCO.
What is the InChIKey of 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?
The InChIKey is CLCFGLPORXMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O6/c1-17(26-15-13-24)28-21-11-7-5-9-19(21)23(3,4)20-10-6-8-12-22(20)29-18(2)27-16-14-25/h5-12,17-18,24-25H,13-16H2,1-4H3.
What are the key properties of 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol?
2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol has a molecular weight of 404.50 g/mol, XLogP of 3.48, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-[2-[1-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 67586644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).