methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate

C10H12O5 — CID 171863514

IUPACmethyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(O)C(O)c1cccc(O)c1
InChIInChI=1S/C10H12O5/c1-15-10(14)9(13)8(12)6-3-2-4-7(11)5-6/h2-5,8-9,11-13H,1H3
InChIKeyIHPPEVIPQRXSLG-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.04
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate

methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate (PubChem CID 171863514) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
PubChem CID171863514
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(O)C(O)c1cccc(O)c1
InChIInChI=1S/C10H12O5/c1-15-10(14)9(13)8(12)6-3-2-4-7(11)5-6/h2-5,8-9,11-13H,1H3
InChIKeyIHPPEVIPQRXSLG-UHFFFAOYSA-N
XLogP-0.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
CID 105467363
methyl 3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863832
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
methyl 3-(4-chloro-3,5-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171863894
methyl 3-(2-chloro-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171863662
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate (CID 171863514) is methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate is COC(=O)C(O)C(O)c1cccc(O)c1.
What is the InChIKey of methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate?
The InChIKey is IHPPEVIPQRXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-15-10(14)9(13)8(12)6-3-2-4-7(11)5-6/h2-5,8-9,11-13H,1H3.
What are the key properties of methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate?
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate has a molecular weight of 212.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 171863514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).