1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol

C24H26O3 — CID 20558061

IUPAC1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)(c1ccccc1)c1ccc(OCCO)cc1
InChIInChI=1S/C24H26O3/c1-2-23(19-9-5-3-6-10-19)24(26,20-11-7-4-8-12-20)21-13-15-22(16-14-21)27-18-17-25/h3-16,23,25-26H,2,17-18H2,1H3
InChIKeyWFFGIIBQUGBLSM-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.49
Rot. Bonds8

About 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol

1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol (PubChem CID 20558061) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
PubChem CID20558061
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)(c1ccccc1)c1ccc(OCCO)cc1
InChIInChI=1S/C24H26O3/c1-2-23(19-9-5-3-6-10-19)24(26,20-11-7-4-8-12-20)21-13-15-22(16-14-21)27-18-17-25/h3-16,23,25-26H,2,17-18H2,1H3
InChIKeyWFFGIIBQUGBLSM-UHFFFAOYSA-N
XLogP4.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
CID 139685238
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
1,2-diphenyl-1-[4-[2-(2-phenylmethoxyethoxy)ethoxy]phenyl]butane-1,4-diol
CID 11226026
3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
CID 154155792
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
CID 54001098
1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-bis(4-methoxyphenyl)butan-1-ol
CID 3027738
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
(1S,2S)-1-(furan-2-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-1-ol
CID 7054994
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034
[4-[4-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3,4-diphenylbutyl] acetate
CID 13298061
(1S,2R)-1-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol
CID 7055012
(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol
CID 7055009

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol (CID 20558061) is 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol is CCC(c1ccccc1)C(O)(c1ccccc1)c1ccc(OCCO)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol?
The InChIKey is WFFGIIBQUGBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-2-23(19-9-5-3-6-10-19)24(26,20-11-7-4-8-12-20)21-13-15-22(16-14-21)27-18-17-25/h3-16,23,25-26H,2,17-18H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol?
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol has a molecular weight of 362.47 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol is sourced from PubChem (CID 20558061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).