benzene-1,3,5-triol

C6H6O3 — CID 359

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IUPACbenzene-1,3,5-triol
SMILESOc1cc(O)cc(O)c1
InChIInChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKeyQCDYQQDYXPDABM-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.80
Rot. Bonds

About benzene-1,3,5-triol

benzene-1,3,5-triol (PubChem CID 359) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is benzene-1,3,5-triol.

Molecular Properties

Compound Namebenzene-1,3,5-triol
PubChem CID359
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Namebenzene-1,3,5-triol
SMILESOc1cc(O)cc(O)c1
InChIInChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKeyQCDYQQDYXPDABM-UHFFFAOYSA-N
XLogP0.80
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 70471879
CID 70471879
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
5-deuteriooxybenzene-1,3-diol
CID 118119275
acetic acid;benzene-1,3,5-triol
CID 53443381
5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 19379531
benzene-1,2,3,4-tetrol;benzene-1,3,5-triol
CID 174397816
5-[3,5-bis(3,5-dihydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830586
5-(trideuteriomethyl)benzene-1,3-diol
CID 167362662
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
benzene-1,3,5-triol;triazine
CID 175490671
5-nitrosobenzene-1,3-diol
CID 89060107
3,5-dihydroxybenzoic acid
CID 66745884

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol?
The IUPAC name of benzene-1,3,5-triol (CID 359) is benzene-1,3,5-triol.
What is the SMILES notation for benzene-1,3,5-triol?
The canonical SMILES for benzene-1,3,5-triol is Oc1cc(O)cc(O)c1.
What is the InChIKey of benzene-1,3,5-triol?
The InChIKey is QCDYQQDYXPDABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H.
What are the key properties of benzene-1,3,5-triol?
benzene-1,3,5-triol has a molecular weight of 126.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol is sourced from PubChem (CID 359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).