benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid

C16H18O8 — CID 137321948

IUPACbenzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid
SMILESC[C@H](O)C(=O)O.O=C(O)c1ccccc1O.Oc1cccc(O)c1
InChIInChI=1S/C7H6O3.C6H6O2.C3H6O3/c8-6-4-2-1-3-5(6)7(9)10;7-5-2-1-3-6(8)4-5;1-2(4)3(5)6/h1-4,8H,(H,9,10);1-4,7-8H;2,4H,1H3,(H,5,6)/t;;2-/m..0/s1
InChIKeyIGSNDNFHSRZCAO-VAGRMJETSA-N
MW338.31 g/mol
LogP1.64
Rot. Bonds2

About benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid

benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid (PubChem CID 137321948) has the molecular formula C16H18O8 and a molecular weight of 338.31 g/mol. Its IUPAC name is benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid.

Molecular Properties

Compound Namebenzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid
PubChem CID137321948
Molecular FormulaC16H18O8
Molecular Weight338.31 g/mol
Exact Mass338.10
IUPAC Namebenzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid
SMILESC[C@H](O)C(=O)O.O=C(O)c1ccccc1O.Oc1cccc(O)c1
InChIInChI=1S/C7H6O3.C6H6O2.C3H6O3/c8-6-4-2-1-3-5(6)7(9)10;7-5-2-1-3-6(8)4-5;1-2(4)3(5)6/h1-4,8H,(H,9,10);1-4,7-8H;2,4H,1H3,(H,5,6)/t;;2-/m..0/s1
InChIKeyIGSNDNFHSRZCAO-VAGRMJETSA-N
XLogP1.64
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 51.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
calcium;magnesium;copper;hydride;2-hydroxybenzoic acid;2-hydroxypropanoic acid;sulfuric acid;hexadecahydrate;hydrochloride
CID 174657003
CID 175577732
CID 175577732
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;hydrobromide
CID 70122828
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;3-hydroxybutanoic acid
CID 159574969

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid?
The IUPAC name of benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid (CID 137321948) is benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid.
What is the SMILES notation for benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid?
The canonical SMILES for benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid is C[C@H](O)C(=O)O.O=C(O)c1ccccc1O.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid?
The InChIKey is IGSNDNFHSRZCAO-VAGRMJETSA-N. The full InChI is InChI=1S/C7H6O3.C6H6O2.C3H6O3/c8-6-4-2-1-3-5(6)7(9)10;7-5-2-1-3-6(8)4-5;1-2(4)3(5)6/h1-4,8H,(H,9,10);1-4,7-8H;2,4H,1H3,(H,5,6)/t;;2-/m..0/s1.
What are the key properties of benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid?
benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid has a molecular weight of 338.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;2-hydroxybenzoic acid;(2S)-2-hydroxypropanoic acid is sourced from PubChem (CID 137321948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).