(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol

C16H22O3 — CID 87354283

IUPAC(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
SMILESO[C@@H](c1cccc(OCC2CCCCC2)c1)[C@H]1CO1
InChIInChI=1S/C16H22O3/c17-16(15-11-19-15)13-7-4-8-14(9-13)18-10-12-5-2-1-3-6-12/h4,7-9,12,15-17H,1-3,5-6,10-11H2/t15-,16+/m1/s1
InChIKeyDOVLQPLSKIGHKW-CVEARBPZSA-N
MW262.35 g/mol
LogP3.08
Rot. Bonds5

About (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol

(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol (PubChem CID 87354283) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol.

Molecular Properties

Compound Name(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
PubChem CID87354283
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
SMILESO[C@@H](c1cccc(OCC2CCCCC2)c1)[C@H]1CO1
InChIInChI=1S/C16H22O3/c17-16(15-11-19-15)13-7-4-8-14(9-13)18-10-12-5-2-1-3-6-12/h4,7-9,12,15-17H,1-3,5-6,10-11H2/t15-,16+/m1/s1
InChIKeyDOVLQPLSKIGHKW-CVEARBPZSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.08
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

1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
CID 87693184
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179
CID 172583865
CID 172583865
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
(1R)-1-[3-(cyclohexylmethoxy)phenyl]-5-iminohexan-1-ol
CID 157299159
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol?
The IUPAC name of (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol (CID 87354283) is (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol.
What is the SMILES notation for (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol?
The canonical SMILES for (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol is O[C@@H](c1cccc(OCC2CCCCC2)c1)[C@H]1CO1.
What is the InChIKey of (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol?
The InChIKey is DOVLQPLSKIGHKW-CVEARBPZSA-N. The full InChI is InChI=1S/C16H22O3/c17-16(15-11-19-15)13-7-4-8-14(9-13)18-10-12-5-2-1-3-6-12/h4,7-9,12,15-17H,1-3,5-6,10-11H2/t15-,16+/m1/s1.
What are the key properties of (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol?
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol has a molecular weight of 262.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol is sourced from PubChem (CID 87354283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).