methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate

C15H14O4 — CID 11230647

IUPACmethyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1-c1ccccc1
InChIInChI=1S/C15H14O4/c1-19-14(18)8-11-7-12(16)9-13(17)15(11)10-5-3-2-4-6-10/h2-7,9,16-17H,8H2,1H3
InChIKeyCEPFMLDDIWNPED-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate

methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate (PubChem CID 11230647) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
PubChem CID11230647
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1-c1ccccc1
InChIInChI=1S/C15H14O4/c1-19-14(18)8-11-7-12(16)9-13(17)15(11)10-5-3-2-4-6-10/h2-7,9,16-17H,8H2,1H3
InChIKeyCEPFMLDDIWNPED-UHFFFAOYSA-N
XLogP2.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3,5-dihydroxy-2-[3-(methoxyiminomethyl)phenyl]phenyl]acetate
CID 87662013
methyl 2-[2-(1,3-benzodioxol-5-yl)-3,5-dihydroxyphenyl]acetate
CID 11208853
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(3,5-dihydroxy-2-phenylphenyl)-3-oxobutanoate
CID 23146903
methyl 2-[2-[5-(diethylaminomethyl)furan-2-yl]-3,5-dihydroxyphenyl]acetate
CID 69026701
methyl 2-[3,5-bis(methoxymethoxy)-2-(4-phenylphenyl)phenyl]acetate
CID 23146916
methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
CID 102010870
methyl 2-[3,5-dihydroxy-2-[5-(3-hydroxyiminobutyl)furan-2-yl]phenyl]acetate
CID 74020640
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
CID 172801156
CID 172801156

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate?
The IUPAC name of methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate (CID 11230647) is methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate.
What is the SMILES notation for methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate?
The canonical SMILES for methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate is COC(=O)Cc1cc(O)cc(O)c1-c1ccccc1.
What is the InChIKey of methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate?
The InChIKey is CEPFMLDDIWNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-19-14(18)8-11-7-12(16)9-13(17)15(11)10-5-3-2-4-6-10/h2-7,9,16-17H,8H2,1H3.
What are the key properties of methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate?
methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate has a molecular weight of 258.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate is sourced from PubChem (CID 11230647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).