[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene

C20H22O — CID 101068109

IUPAC[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
SMILESC1=C([C@@H](OCc2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C20H22O/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-14,20H,3,8-9,15-16H2/t20-/m0/s1
InChIKeyIGBAVBKVTZJMEP-FQEVSTJZSA-N
MW278.39 g/mol
LogP5.44
Rot. Bonds5

About [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene

[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene (PubChem CID 101068109) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene.

Molecular Properties

Compound Name[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
PubChem CID101068109
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
SMILESC1=C([C@@H](OCc2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C20H22O/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-14,20H,3,8-9,15-16H2/t20-/m0/s1
InChIKeyIGBAVBKVTZJMEP-FQEVSTJZSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene
CID 101068090
[(R)-cyclohexen-1-yl(ethoxymethoxy)methyl]benzene
CID 101125832
benzhydryloxymethylbenzene
CID 11437288
3-(cyclohexen-1-yl)but-1-en-2-yloxymethylbenzene
CID 142096371
tert-butyl-[3-(cyclohexen-1-yl)-3-phenylmethoxyprop-1-ynoxy]-dimethylsilane
CID 101185114
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(cyclohexen-1-yl)-2,2-diphenylethanol
CID 107292880
1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
CID 142914167
[(2R)-4-(cyclohexen-1-yl)-1,1,1-trifluorobut-3-yn-2-yl]oxymethylbenzene
CID 11748406
1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene
CID 131983554
1-(cyclohexen-1-yl)-3-hydroxy-3-phenylpropan-1-olate
CID 163845354
cyclopenten-1-yl(phenyl)methanol
CID 62079270

Frequently Asked Questions

What is the IUPAC name of [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene?
The IUPAC name of [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene (CID 101068109) is [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene.
What is the SMILES notation for [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene?
The canonical SMILES for [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene is C1=C([C@@H](OCc2ccccc2)c2ccccc2)CCCC1.
What is the InChIKey of [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene?
The InChIKey is IGBAVBKVTZJMEP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22O/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-14,20H,3,8-9,15-16H2/t20-/m0/s1.
What are the key properties of [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene?
[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene has a molecular weight of 278.39 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene is sourced from PubChem (CID 101068109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).