4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol

C15H14O3 — CID 151193799

IUPAC4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol
SMILESOc1ccc(CC2CO2)c(O)c1-c1ccccc1
InChIInChI=1S/C15H14O3/c16-13-7-6-11(8-12-9-18-12)15(17)14(13)10-4-2-1-3-5-10/h1-7,12,16-17H,8-9H2
InChIKeyNGWIQRMMDNXWKQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.71
Rot. Bonds3

About 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol

4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol (PubChem CID 151193799) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol
PubChem CID151193799
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol
SMILESOc1ccc(CC2CO2)c(O)c1-c1ccccc1
InChIInChI=1S/C15H14O3/c16-13-7-6-11(8-12-9-18-12)15(17)14(13)10-4-2-1-3-5-10/h1-7,12,16-17H,8-9H2
InChIKeyNGWIQRMMDNXWKQ-UHFFFAOYSA-N
XLogP2.71
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethyl)-3-phenylphenol
CID 174834260
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186
2,3-bis(oxiran-2-ylmethyl)phenol
CID 19029836
2-(2-hydroxyphenoxy)-3,4-bis(oxiran-2-ylmethyl)phenol
CID 140959428
4-(oxiran-2-ylmethyl)-2-phenylmethoxyphenol
CID 57057624
2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
CID 141149297
4-amino-2-(oxiran-2-ylmethyl)phenol
CID 22610788
2-[[(2R)-oxiran-2-yl]methyl]benzonitrile
CID 15016400
2-[4-(2-hydroxyphenyl)phenyl]-3-phenyl-4-(trifluoromethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175012278
[2-(oxiran-2-ylmethyl)phenyl]phosphonic acid
CID 174396198
3,4,5-tris(oxiran-2-ylmethyl)-6-[2-(oxiran-2-ylmethyl)phenyl]benzene-1,2-diamine
CID 87248140
5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine
CID 175342328

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol?
The IUPAC name of 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol (CID 151193799) is 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol.
What is the SMILES notation for 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol?
The canonical SMILES for 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol is Oc1ccc(CC2CO2)c(O)c1-c1ccccc1.
What is the InChIKey of 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol?
The InChIKey is NGWIQRMMDNXWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-13-7-6-11(8-12-9-18-12)15(17)14(13)10-4-2-1-3-5-10/h1-7,12,16-17H,8-9H2.
What are the key properties of 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol?
4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol has a molecular weight of 242.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol is sourced from PubChem (CID 151193799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).