ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene

C17H24O2 — CID 91103273

IUPACethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene
SMILESC=C.CC.COC1(Oc2ccccc2)C=CCC=C1
InChIInChI=1S/C13H14O2.C2H6.C2H4/c1-14-13(10-6-3-7-11-13)15-12-8-4-2-5-9-12;2*1-2/h2,4-11H,3H2,1H3;1-2H3;1-2H2
InChIKeyNBUUPFLHAUDROY-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.75
Rot. Bonds3

About ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene

ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene (PubChem CID 91103273) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene.

Molecular Properties

Compound Nameethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene
PubChem CID91103273
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene
SMILESC=C.CC.COC1(Oc2ccccc2)C=CCC=C1
InChIInChI=1S/C13H14O2.C2H6.C2H4/c1-14-13(10-6-3-7-11-13)15-12-8-4-2-5-9-12;2*1-2/h2,4-11H,3H2,1H3;1-2H3;1-2H2
InChIKeyNBUUPFLHAUDROY-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-fluorocyclohexa-2,5-dien-1-yl)oxybenzene
CID 19608836
[1-(dimethoxymethyl)cyclohexa-2,4-dien-1-yl]oxybenzene
CID 68786800
2-methyl-2-phenoxyoxirane
CID 19360932
1-methyl-1-phenoxycycloheptane
CID 101026780
ethane;methyl diphenyl phosphite
CID 161074644
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050
5-methylidene-2,2-diphenoxy-1,3-dithiane
CID 100951085
(1-phenoxycyclohexyl)phosphane
CID 175047235

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene?
The IUPAC name of ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene (CID 91103273) is ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene.
What is the SMILES notation for ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene?
The canonical SMILES for ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene is C=C.CC.COC1(Oc2ccccc2)C=CCC=C1.
What is the InChIKey of ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene?
The InChIKey is NBUUPFLHAUDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C2H6.C2H4/c1-14-13(10-6-3-7-11-13)15-12-8-4-2-5-9-12;2*1-2/h2,4-11H,3H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene?
ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene has a molecular weight of 260.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(1-methoxycyclohexa-2,5-dien-1-yl)oxybenzene is sourced from PubChem (CID 91103273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).