(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol

C16H16O3 — CID 11172882

IUPAC(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol
SMILESO[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1CO1
InChIInChI=1S/C16H16O3/c17-16(15-11-19-15)13-6-8-14(9-7-13)18-10-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-,16-/m0/s1
InChIKeyFHFDGRFBVBYQHD-HOTGVXAUSA-N
MW256.30 g/mol
LogP2.70
Rot. Bonds5

About (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol

(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol (PubChem CID 11172882) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol
PubChem CID11172882
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol
SMILESO[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1CO1
InChIInChI=1S/C16H16O3/c17-16(15-11-19-15)13-6-8-14(9-7-13)18-10-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-,16-/m0/s1
InChIKeyFHFDGRFBVBYQHD-HOTGVXAUSA-N
XLogP2.70
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 ≤ 52.70
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

(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-[(2S)-oxiran-2-yl]ethyl-(4-phenylmethoxyphenyl)carbamic acid
CID 87654320
[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 139823105
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255

Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol?
The IUPAC name of (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol (CID 11172882) is (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol?
The canonical SMILES for (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol is O[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1CO1.
What is the InChIKey of (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol?
The InChIKey is FHFDGRFBVBYQHD-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H16O3/c17-16(15-11-19-15)13-6-8-14(9-7-13)18-10-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-,16-/m0/s1.
What are the key properties of (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol?
(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol has a molecular weight of 256.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 11172882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).