methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate

C17H18O4 — CID 21184995

IUPACmethyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
SMILESCOC(=O)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H18O4/c1-17(2,11-4-7-13(18)8-5-11)12-6-9-15(19)14(10-12)16(20)21-3/h4-10,18-19H,1-3H3
InChIKeyDJYIKPQCFJIGTO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.21
Rot. Bonds3

About methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate

methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate (PubChem CID 21184995) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
PubChem CID21184995
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
SMILESCOC(=O)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H18O4/c1-17(2,11-4-7-13(18)8-5-11)12-6-9-15(19)14(10-12)16(20)21-3/h4-10,18-19H,1-3H3
InChIKeyDJYIKPQCFJIGTO-UHFFFAOYSA-N
XLogP3.21
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate 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

[4-(2-phenylpropan-2-yl)phenyl] 2-hydroxy-5-(2-phenylpropan-2-yl)benzoate
CID 23468248
1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
CID 134105467
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
CID 21184977
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
CID 54208254
cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
CID 143878278
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
disodium bisphenol-A
CID 66941220

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate (CID 21184995) is methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate is COC(=O)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate?
The InChIKey is DJYIKPQCFJIGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(2,11-4-7-13(18)8-5-11)12-6-9-15(19)14(10-12)16(20)21-3/h4-10,18-19H,1-3H3.
What are the key properties of methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate?
methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate is sourced from PubChem (CID 21184995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).