2-[(3-methoxyphenyl)methyl]oxolane

C12H16O2 — CID 10607780

IUPAC2-[(3-methoxyphenyl)methyl]oxolane
SMILESCOc1cccc(CC2CCCO2)c1
InChIInChI=1S/C12H16O2/c1-13-11-5-2-4-10(8-11)9-12-6-3-7-14-12/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeySRRJUFPPBYSRHE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.42
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]oxolane

2-[(3-methoxyphenyl)methyl]oxolane (PubChem CID 10607780) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]oxolane
PubChem CID10607780
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[(3-methoxyphenyl)methyl]oxolane
SMILESCOc1cccc(CC2CCCO2)c1
InChIInChI=1S/C12H16O2/c1-13-11-5-2-4-10(8-11)9-12-6-3-7-14-12/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeySRRJUFPPBYSRHE-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane
CID 10753076
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
1-[[2-(3-methoxyphenyl)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637215
1-cyclopropyl-2-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 75364828
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
CID 24713843
3-cyclooctyl-1-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 17065543

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]oxolane?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]oxolane (CID 10607780) is 2-[(3-methoxyphenyl)methyl]oxolane.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]oxolane?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]oxolane is COc1cccc(CC2CCCO2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]oxolane?
The InChIKey is SRRJUFPPBYSRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-11-5-2-4-10(8-11)9-12-6-3-7-14-12/h2,4-5,8,12H,3,6-7,9H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]oxolane?
2-[(3-methoxyphenyl)methyl]oxolane has a molecular weight of 192.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]oxolane is sourced from PubChem (CID 10607780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).