1-(4-hydroxyphenyl)ethane-1,1-diol

C8H10O3 — CID 137436479

IUPAC1-(4-hydroxyphenyl)ethane-1,1-diol
SMILESCC(O)(O)c1ccc(O)cc1
InChIInChI=1S/C8H10O3/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,9-11H,1H3
InChIKeyDBLIHVOWYICSQL-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.55
Rot. Bonds1

About 1-(4-hydroxyphenyl)ethane-1,1-diol

1-(4-hydroxyphenyl)ethane-1,1-diol (PubChem CID 137436479) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)ethane-1,1-diol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)ethane-1,1-diol
PubChem CID137436479
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-(4-hydroxyphenyl)ethane-1,1-diol
SMILESCC(O)(O)c1ccc(O)cc1
InChIInChI=1S/C8H10O3/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,9-11H,1H3
InChIKeyDBLIHVOWYICSQL-UHFFFAOYSA-N
XLogP0.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174380967
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CID 139024042
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
(4-hydroxyphenyl)methanetriol
CID 57197766
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)ethane-1,1-diol?
The IUPAC name of 1-(4-hydroxyphenyl)ethane-1,1-diol (CID 137436479) is 1-(4-hydroxyphenyl)ethane-1,1-diol.
What is the SMILES notation for 1-(4-hydroxyphenyl)ethane-1,1-diol?
The canonical SMILES for 1-(4-hydroxyphenyl)ethane-1,1-diol is CC(O)(O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)ethane-1,1-diol?
The InChIKey is DBLIHVOWYICSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,9-11H,1H3.
What are the key properties of 1-(4-hydroxyphenyl)ethane-1,1-diol?
1-(4-hydroxyphenyl)ethane-1,1-diol has a molecular weight of 154.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)ethane-1,1-diol is sourced from PubChem (CID 137436479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).