2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol

C15H16O4 — CID 10611352

IUPAC2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
SMILESCOc1ccc(CC(O)c2cc(O)ccc2O)cc1
InChIInChI=1S/C15H16O4/c1-19-12-5-2-10(3-6-12)8-15(18)13-9-11(16)4-7-14(13)17/h2-7,9,15-18H,8H2,1H3
InChIKeyYRTMXSYTDVIIAZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.38
Rot. Bonds4

About 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol

2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol (PubChem CID 10611352) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
PubChem CID10611352
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
SMILESCOc1ccc(CC(O)c2cc(O)ccc2O)cc1
InChIInChI=1S/C15H16O4/c1-19-12-5-2-10(3-6-12)8-15(18)13-9-11(16)4-7-14(13)17/h2-7,9,15-18H,8H2,1H3
InChIKeyYRTMXSYTDVIIAZ-UHFFFAOYSA-N
XLogP2.38
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol
CID 156596166
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 65434522
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol (CID 10611352) is 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol is COc1ccc(CC(O)c2cc(O)ccc2O)cc1.
What is the InChIKey of 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol?
The InChIKey is YRTMXSYTDVIIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-19-12-5-2-10(3-6-12)8-15(18)13-9-11(16)4-7-14(13)17/h2-7,9,15-18H,8H2,1H3.
What are the key properties of 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol?
2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol has a molecular weight of 260.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol is sourced from PubChem (CID 10611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).