(2-butyl-1-phenoxycyclopropyl)oxybenzene

C19H22O2 — CID 11065916

IUPAC(2-butyl-1-phenoxycyclopropyl)oxybenzene
SMILESCCCCC1CC1(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H22O2/c1-2-3-10-16-15-19(16,20-17-11-6-4-7-12-17)21-18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3
InChIKeyWCHIASQHPULOQV-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.05
Rot. Bonds7

About (2-butyl-1-phenoxycyclopropyl)oxybenzene

(2-butyl-1-phenoxycyclopropyl)oxybenzene (PubChem CID 11065916) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2-butyl-1-phenoxycyclopropyl)oxybenzene.

Molecular Properties

Compound Name(2-butyl-1-phenoxycyclopropyl)oxybenzene
PubChem CID11065916
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2-butyl-1-phenoxycyclopropyl)oxybenzene
SMILESCCCCC1CC1(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H22O2/c1-2-3-10-16-15-19(16,20-17-11-6-4-7-12-17)21-18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3
InChIKeyWCHIASQHPULOQV-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-2-propylcyclopropane-1-carboxylic acid
CID 121269494
N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
CID 102066811
trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-propylcyclopropan-1-amine
CID 134998343
2,2-diphenoxycyclopropane-1-carbonitrile
CID 71364834
trans-(1R,2S)-N,N-dibenzyl-2-butyl-1-(phenylmethoxymethyl)cyclopropan-1-amine
CID 10549682
[(1R,2R)-2-butoxy-2-methylcyclopropyl]benzene
CID 102422403
[(1R,2S)-2-butyl-1-chlorocyclopropyl]methanol
CID 12025974
(5-butyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 123913209
[1-(2-heptyl-1-phenylsulfanylcyclopropyl)cyclopropyl]sulfanylbenzene
CID 102121474
4-(4-pentylcyclohexyl)butan-2-yloxybenzene
CID 70114949
3-butylpiperidine;ethane;ethoxybenzene
CID 159556445
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-phenoxycyclopropyl)oxybenzene?
The IUPAC name of (2-butyl-1-phenoxycyclopropyl)oxybenzene (CID 11065916) is (2-butyl-1-phenoxycyclopropyl)oxybenzene.
What is the SMILES notation for (2-butyl-1-phenoxycyclopropyl)oxybenzene?
The canonical SMILES for (2-butyl-1-phenoxycyclopropyl)oxybenzene is CCCCC1CC1(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-butyl-1-phenoxycyclopropyl)oxybenzene?
The InChIKey is WCHIASQHPULOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-10-16-15-19(16,20-17-11-6-4-7-12-17)21-18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3.
What are the key properties of (2-butyl-1-phenoxycyclopropyl)oxybenzene?
(2-butyl-1-phenoxycyclopropyl)oxybenzene has a molecular weight of 282.38 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-phenoxycyclopropyl)oxybenzene is sourced from PubChem (CID 11065916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).