[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol

C13H18O3 — CID 66058999

IUPAC[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
SMILESCOc1ccccc1CC1(CO)CCOC1
InChIInChI=1S/C13H18O3/c1-15-12-5-3-2-4-11(12)8-13(9-14)6-7-16-10-13/h2-5,14H,6-10H2,1H3
InChIKeyDUVDLQAKTRUVAB-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.64
Rot. Bonds4

About [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol

[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol (PubChem CID 66058999) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
PubChem CID66058999
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
SMILESCOc1ccccc1CC1(CO)CCOC1
InChIInChI=1S/C13H18O3/c1-15-12-5-3-2-4-11(12)8-13(9-14)6-7-16-10-13/h2-5,14H,6-10H2,1H3
InChIKeyDUVDLQAKTRUVAB-UHFFFAOYSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976723
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
CID 66024317
3-(bromomethyl)-3-[(2-methylphenyl)methyl]oxolane
CID 66048541
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
[3-[(2-bromo-4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 66057540
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
[3-(furan-2-ylmethyl)oxolan-3-yl]methanol
CID 66059212
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol (CID 66058999) is [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol is COc1ccccc1CC1(CO)CCOC1.
What is the InChIKey of [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is DUVDLQAKTRUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-12-5-3-2-4-11(12)8-13(9-14)6-7-16-10-13/h2-5,14H,6-10H2,1H3.
What are the key properties of [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol?
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 66058999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).