(4-hydroxyphenyl)methanetriol

C7H8O4 — CID 57197766

IUPAC(4-hydroxyphenyl)methanetriol
SMILESOc1ccc(C(O)(O)O)cc1
InChIInChI=1S/C7H8O4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8-11H
InChIKeyNKWCCOHPEHHYGP-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.52
Rot. Bonds1

About (4-hydroxyphenyl)methanetriol

(4-hydroxyphenyl)methanetriol (PubChem CID 57197766) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (4-hydroxyphenyl)methanetriol.

Molecular Properties

Compound Name(4-hydroxyphenyl)methanetriol
PubChem CID57197766
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(4-hydroxyphenyl)methanetriol
SMILESOc1ccc(C(O)(O)O)cc1
InChIInChI=1S/C7H8O4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8-11H
InChIKeyNKWCCOHPEHHYGP-UHFFFAOYSA-N
XLogP-0.52
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
4-tert-butylphenol;cobalt
CID 174380967
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-(trifluoromethyl)(18F)phenol
CID 71660610
bis(4-tert-butylphenol);zirconium
CID 87864994
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-tert-butylphenol;titanium
CID 20801499
4-(trichloromethyl)phenol
CID 21200855
4-tert-butylphenol;nickel
CID 162056786
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
argon;benzene-1,4-diol
CID 71441175

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methanetriol?
The IUPAC name of (4-hydroxyphenyl)methanetriol (CID 57197766) is (4-hydroxyphenyl)methanetriol.
What is the SMILES notation for (4-hydroxyphenyl)methanetriol?
The canonical SMILES for (4-hydroxyphenyl)methanetriol is Oc1ccc(C(O)(O)O)cc1.
What is the InChIKey of (4-hydroxyphenyl)methanetriol?
The InChIKey is NKWCCOHPEHHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8-11H.
What are the key properties of (4-hydroxyphenyl)methanetriol?
(4-hydroxyphenyl)methanetriol has a molecular weight of 156.14 g/mol, XLogP of -0.52, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methanetriol is sourced from PubChem (CID 57197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).