[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol

C16H16O3 — CID 18628101

IUPAC[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol
SMILESOCc1cc(C2CO2)ccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c17-9-14-8-13(16-11-19-16)6-7-15(14)18-10-12-4-2-1-3-5-12/h1-8,16-17H,9-11H2
InChIKeySMNDRQBPGHVLHE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.83
Rot. Bonds5

About [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol

[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol (PubChem CID 18628101) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol
PubChem CID18628101
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol
SMILESOCc1cc(C2CO2)ccc1OCc1ccccc1
InChIInChI=1S/C16H16O3/c17-9-14-8-13(16-11-19-16)6-7-15(14)18-10-12-4-2-1-3-5-12/h1-8,16-17H,9-11H2
InChIKeySMNDRQBPGHVLHE-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
2-(4-phenylmethoxy-3-propylphenyl)morpholine
CID 69353396
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
2-bromo-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
CID 72834291
2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine
CID 170558536
4-morpholin-2-yl-2-phenylmethoxyphenol
CID 117459594
(1R)-2-amino-1-[3,5-bis(phenylmethoxy)phenyl]ethanol;(1R)-2-amino-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
CID 158431070
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511

Frequently Asked Questions

What is the IUPAC name of [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol?
The IUPAC name of [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol (CID 18628101) is [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol.
What is the SMILES notation for [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol?
The canonical SMILES for [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol is OCc1cc(C2CO2)ccc1OCc1ccccc1.
What is the InChIKey of [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol?
The InChIKey is SMNDRQBPGHVLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-9-14-8-13(16-11-19-16)6-7-15(14)18-10-12-4-2-1-3-5-12/h1-8,16-17H,9-11H2.
What are the key properties of [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol?
[5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol has a molecular weight of 256.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxiran-2-yl)-2-phenylmethoxyphenyl]methanol is sourced from PubChem (CID 18628101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).