[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone

C16H14O5 — CID 141433843

IUPAC[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1ccc(OCC2CO2)cc1O
InChIInChI=1S/C16H14O5/c17-14-4-2-1-3-12(14)16(19)13-6-5-10(7-15(13)18)20-8-11-9-21-11/h1-7,11,17-18H,8-9H2
InChIKeyJQPQGABPKYSYFC-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.11
Rot. Bonds5

About [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone

[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone (PubChem CID 141433843) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone
PubChem CID141433843
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1ccc(OCC2CO2)cc1O
InChIInChI=1S/C16H14O5/c17-14-4-2-1-3-12(14)16(19)13-6-5-10(7-15(13)18)20-8-11-9-21-11/h1-7,11,17-18H,8-9H2
InChIKeyJQPQGABPKYSYFC-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone 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

2-amino-5-(oxiran-2-ylmethoxy)phenol
CID 142227282
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
2-[4,6-bis[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazin-2-yl]-5-(oxiran-2-ylmethoxy)phenol
CID 147213170
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
2-[2,5-bis(oxiran-2-ylmethoxy)phenyl]-2-(2-hydroxyphenyl)acetic acid
CID 118525283
methyl 4-[[(2S)-oxiran-2-yl]methoxy]-2-(trifluoromethyl)benzoate
CID 118002356
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone (CID 141433843) is [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)c1ccc(OCC2CO2)cc1O.
What is the InChIKey of [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone?
The InChIKey is JQPQGABPKYSYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-14-4-2-1-3-12(14)16(19)13-6-5-10(7-15(13)18)20-8-11-9-21-11/h1-7,11,17-18H,8-9H2.
What are the key properties of [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone?
[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone has a molecular weight of 286.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 141433843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).