benzene-1,3,5-triol;benzoic acid

C20H18O7 — CID 71381756

IUPACbenzene-1,3,5-triol;benzoic acid
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.Oc1cc(O)cc(O)c1
InChIInChI=1S/2C7H6O2.C6H6O3/c2*8-7(9)6-4-2-1-3-5-6;7-4-1-5(8)3-6(9)2-4/h2*1-5H,(H,8,9);1-3,7-9H
InChIKeyHUOITBOJIAIFGP-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.57
Rot. Bonds2

About benzene-1,3,5-triol;benzoic acid

benzene-1,3,5-triol;benzoic acid (PubChem CID 71381756) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is benzene-1,3,5-triol;benzoic acid.

Molecular Properties

Compound Namebenzene-1,3,5-triol;benzoic acid
PubChem CID71381756
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Namebenzene-1,3,5-triol;benzoic acid
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.Oc1cc(O)cc(O)c1
InChIInChI=1S/2C7H6O2.C6H6O3/c2*8-7(9)6-4-2-1-3-5-6;7-4-1-5(8)3-6(9)2-4/h2*1-5H,(H,8,9);1-3,7-9H
InChIKeyHUOITBOJIAIFGP-UHFFFAOYSA-N
XLogP3.57
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;benzoic acid?
The IUPAC name of benzene-1,3,5-triol;benzoic acid (CID 71381756) is benzene-1,3,5-triol;benzoic acid.
What is the SMILES notation for benzene-1,3,5-triol;benzoic acid?
The canonical SMILES for benzene-1,3,5-triol;benzoic acid is O=C(O)c1ccccc1.O=C(O)c1ccccc1.Oc1cc(O)cc(O)c1.
What is the InChIKey of benzene-1,3,5-triol;benzoic acid?
The InChIKey is HUOITBOJIAIFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.C6H6O3/c2*8-7(9)6-4-2-1-3-5-6;7-4-1-5(8)3-6(9)2-4/h2*1-5H,(H,8,9);1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;benzoic acid?
benzene-1,3,5-triol;benzoic acid has a molecular weight of 370.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;benzoic acid is sourced from PubChem (CID 71381756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).