methyl 2-(3,5-dihydroxyphenyl)acetate

C9H10O4 — CID 579787

IUPACmethyl 2-(3,5-dihydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3
InChIKeyLMLSBPHXMGSGCR-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.81
Rot. Bonds2

About methyl 2-(3,5-dihydroxyphenyl)acetate

methyl 2-(3,5-dihydroxyphenyl)acetate (PubChem CID 579787) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is methyl 2-(3,5-dihydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dihydroxyphenyl)acetate
PubChem CID579787
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Namemethyl 2-(3,5-dihydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3
InChIKeyLMLSBPHXMGSGCR-UHFFFAOYSA-N
XLogP0.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Homogentisic Acid
CID 780
3'-Hydroxyphenylacetic acid
CID 12122
3,5-Dihydroxybenzoic Acid
CID 7424
3-(3'-Hydroxyphenyl)propionic acid
CID 91
Orsellinic Acid
CID 68072
Methyl 3,5-Dihydroxybenzoate
CID 75076
(3-Methoxyphenyl)acetic acid
CID 15719
3',5'-Dihydroxyacetophenone
CID 103993
Benzoic acid, 3,5-dihydroxy-, ethyl ester
CID 20098
Methyl 2,4,6-trihydroxybenzoate
CID 76600
3,5-Dimethoxybenzoic Acid
CID 14332
3-Hydroxymandelic acid
CID 86957

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dihydroxyphenyl)acetate?
The IUPAC name of methyl 2-(3,5-dihydroxyphenyl)acetate (CID 579787) is methyl 2-(3,5-dihydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3,5-dihydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(3,5-dihydroxyphenyl)acetate is COC(=O)Cc1cc(O)cc(O)c1.
What is the InChIKey of methyl 2-(3,5-dihydroxyphenyl)acetate?
The InChIKey is LMLSBPHXMGSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3.
What are the key properties of methyl 2-(3,5-dihydroxyphenyl)acetate?
methyl 2-(3,5-dihydroxyphenyl)acetate has a molecular weight of 182.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dihydroxyphenyl)acetate is sourced from PubChem (CID 579787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).