benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid

C16H16O6 — CID 21468463

IUPACbenzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CC(=O)O.Oc1cccc(O)c1
InChIInChI=1S/C10H10O4.C6H6O2/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14;7-5-2-1-3-6(8)4-5/h1-4H,5-6H2,(H,11,12)(H,13,14);1-4,7-8H
InChIKeyPWQYUVPRTVKZHM-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.04
Rot. Bonds4

About benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid

benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid (PubChem CID 21468463) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Namebenzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
PubChem CID21468463
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Namebenzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CC(=O)O.Oc1cccc(O)c1
InChIInChI=1S/C10H10O4.C6H6O2/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14;7-5-2-1-3-6(8)4-5/h1-4H,5-6H2,(H,11,12)(H,13,14);1-4,7-8H
InChIKeyPWQYUVPRTVKZHM-UHFFFAOYSA-N
XLogP2.04
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-[(3-hydroxy-N-methylanilino)methyl]phenyl]acetic acid
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CID 23218590
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
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CID 53446063
benzene-1,3-diol;3-oxopropanoic acid
CID 138611766
bis(benzene-1,3-diol);formaldehyde
CID 174734201
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
azane;2-(2-ethylphenyl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid?
The IUPAC name of benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid (CID 21468463) is benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid.
What is the SMILES notation for benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid?
The canonical SMILES for benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1CC(=O)O.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid?
The InChIKey is PWQYUVPRTVKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.C6H6O2/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14;7-5-2-1-3-6(8)4-5/h1-4H,5-6H2,(H,11,12)(H,13,14);1-4,7-8H.
What are the key properties of benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid?
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid is sourced from PubChem (CID 21468463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).