methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate

C16H16O4 — CID 142993000

IUPACmethyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(O)c2ccccc2)cc1O
InChIInChI=1S/C16H16O4/c1-20-15(18)10-12-7-8-13(9-14(12)17)16(19)11-5-3-2-4-6-11/h2-9,16-17,19H,10H2,1H3
InChIKeyGXJCULROUDDKBU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate

methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate (PubChem CID 142993000) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate
PubChem CID142993000
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(O)c2ccccc2)cc1O
InChIInChI=1S/C16H16O4/c1-20-15(18)10-12-7-8-13(9-14(12)17)16(19)11-5-3-2-4-6-11/h2-9,16-17,19H,10H2,1H3
InChIKeyGXJCULROUDDKBU-UHFFFAOYSA-N
XLogP2.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]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-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
2-[3-[hydroxy(phenyl)methyl]phenyl]acetic acid
CID 150412934
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
CID 10826221
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
CID 117302661
methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
CID 11230647
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
CID 25241509
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
methyl 2-[2-hydroxy-4-[(4-pentan-2-ylphenyl)methoxy]phenyl]acetate
CID 71043044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate (CID 142993000) is methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate is COC(=O)Cc1ccc(C(O)c2ccccc2)cc1O.
What is the InChIKey of methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate?
The InChIKey is GXJCULROUDDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-20-15(18)10-12-7-8-13(9-14(12)17)16(19)11-5-3-2-4-6-11/h2-9,16-17,19H,10H2,1H3.
What are the key properties of methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate?
methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate has a molecular weight of 272.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate is sourced from PubChem (CID 142993000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).