2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane

C15H20O3 — CID 10753076

IUPAC2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane
SMILESCOc1cccc(CC2CCC3(CCCO3)O2)c1
InChIInChI=1S/C15H20O3/c1-16-13-5-2-4-12(10-13)11-14-6-8-15(18-14)7-3-9-17-15/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKeyLNXDFYRRDAKNKX-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.92
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane

2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane (PubChem CID 10753076) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane
PubChem CID10753076
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane
SMILESCOc1cccc(CC2CCC3(CCCO3)O2)c1
InChIInChI=1S/C15H20O3/c1-16-13-5-2-4-12(10-13)11-14-6-8-15(18-14)7-3-9-17-15/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKeyLNXDFYRRDAKNKX-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 7646917
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
2-[(3-methoxyphenyl)methyl]-5,5-dimethyl-1,3-oxazolidine
CID 117229006
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
CID 58065884
methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 131709908

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane (CID 10753076) is 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane is COc1cccc(CC2CCC3(CCCO3)O2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane?
The InChIKey is LNXDFYRRDAKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-16-13-5-2-4-12(10-13)11-14-6-8-15(18-14)7-3-9-17-15/h2,4-5,10,14H,3,6-9,11H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane?
2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane has a molecular weight of 248.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 10753076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).