[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol

C17H22O2 — CID 100952584

IUPAC[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1/C=C/[C@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H22O2/c18-10-16-8-14(16)6-7-15-9-17(15)12-19-11-13-4-2-1-3-5-13/h1-7,14-18H,8-12H2/b7-6+/t14-,15-,16+,17+/m0/s1
InChIKeyCEGWQMZZUZSJNB-XJWXRQSLSA-N
MW258.36 g/mol
LogP3.02
Rot. Bonds7

About [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol

[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol (PubChem CID 100952584) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
PubChem CID100952584
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
SMILESOC[C@H]1C[C@@H]1/C=C/[C@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H22O2/c18-10-16-8-14(16)6-7-15-9-17(15)12-19-11-13-4-2-1-3-5-13/h1-7,14-18H,8-12H2/b7-6+/t14-,15-,16+,17+/m0/s1
InChIKeyCEGWQMZZUZSJNB-XJWXRQSLSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
(1R,2S,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 134930284
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208
[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
CID 25130204
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
[(1R)-3-(phenylmethoxymethyl)cyclobut-2-en-1-yl]methanol
CID 149442288
[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 25130205

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol (CID 100952584) is [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol is OC[C@H]1C[C@@H]1/C=C/[C@H]1C[C@@H]1COCc1ccccc1.
What is the InChIKey of [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol?
The InChIKey is CEGWQMZZUZSJNB-XJWXRQSLSA-N. The full InChI is InChI=1S/C17H22O2/c18-10-16-8-14(16)6-7-15-9-17(15)12-19-11-13-4-2-1-3-5-13/h1-7,14-18H,8-12H2/b7-6+/t14-,15-,16+,17+/m0/s1.
What are the key properties of [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol?
[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol has a molecular weight of 258.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol is sourced from PubChem (CID 100952584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).