[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol

C12H16O4 — CID 115094665

IUPAC[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol
SMILESCOc1ccccc1CC1OCC(CO)O1
InChIInChI=1S/C12H16O4/c1-14-11-5-3-2-4-9(11)6-12-15-8-10(7-13)16-12/h2-5,10,12-13H,6-8H2,1H3
InChIKeyITORJBXOBFQUPG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.97
Rot. Bonds4

About [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol

[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 115094665) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol
PubChem CID115094665
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol
SMILESCOc1ccccc1CC1OCC(CO)O1
InChIInChI=1S/C12H16O4/c1-14-11-5-3-2-4-9(11)6-12-15-8-10(7-13)16-12/h2-5,10,12-13H,6-8H2,1H3
InChIKeyITORJBXOBFQUPG-UHFFFAOYSA-N
XLogP0.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-6-[(2-methoxyphenyl)methyl]oxane-3,4,5-triol
CID 25183839
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
2-methoxy-N-[(4-propyl-1,3-dioxolan-2-yl)methyl]aniline
CID 23338370
4-(bromomethyl)-2-[(2-methoxyphenoxy)methyl]-1,3-dioxolane
CID 19762930
N-[[(2S,4S)-2-benzyl-1,3-dioxolan-4-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine
CID 11037922
(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-(oxiran-2-ylmethyl)phenyl] acetate
CID 14713764
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-oxazinane;hydrochloride
CID 117226870
(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
CID 36690087
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol (CID 115094665) is [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol is COc1ccccc1CC1OCC(CO)O1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is ITORJBXOBFQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-14-11-5-3-2-4-9(11)6-12-15-8-10(7-13)16-12/h2-5,10,12-13H,6-8H2,1H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol?
[2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 224.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 115094665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).