2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene

C16H20O2 — CID 162402238

IUPAC2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene
SMILESCOC1C=C(c2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C16H20O2/c1-17-15-12-14(13-8-4-2-5-9-13)16(18-15)10-6-3-7-11-16/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKeyRQMHOYOXNROGRC-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.78
Rot. Bonds2

About 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene

2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 162402238) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID162402238
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene
SMILESCOC1C=C(c2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C16H20O2/c1-17-15-12-14(13-8-4-2-5-9-13)16(18-15)10-6-3-7-11-16/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKeyRQMHOYOXNROGRC-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-oxaspiro[4.4]non-3-en-2-one
CID 14006218
(3-methoxycyclohexen-1-yl)benzene
CID 24976812
dimethoxy-(2-phenyloxan-2-yl)silane
CID 174844797
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene
CID 25243036
1,1'-biphenyl;cycloheptane
CID 174877368
(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one
CID 7070990
(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
CID 44515417
(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane
CID 15196692
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
3-(1-hydroxyethyl)-4-phenyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 163360884
9-methoxy-2-phenylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 4526624

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene (CID 162402238) is 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene is COC1C=C(c2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is RQMHOYOXNROGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-17-15-12-14(13-8-4-2-5-9-13)16(18-15)10-6-3-7-11-16/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3.
What are the key properties of 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene?
2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 244.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162402238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).