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

C12H16O4 — CID 117169887

IUPAC[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCOc1cccc(C2(C)OCC(CO)O2)c1
InChIInChI=1S/C12H16O4/c1-12(15-8-11(7-13)16-12)9-4-3-5-10(6-9)14-2/h3-6,11,13H,7-8H2,1-2H3
InChIKeyPZTMGLPIAVEOGR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.28
Rot. Bonds3

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

[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 117169887) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID117169887
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCOc1cccc(C2(C)OCC(CO)O2)c1
InChIInChI=1S/C12H16O4/c1-12(15-8-11(7-13)16-12)9-4-3-5-10(6-9)14-2/h3-6,11,13H,7-8H2,1-2H3
InChIKeyPZTMGLPIAVEOGR-UHFFFAOYSA-N
XLogP1.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
CID 117169822
[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872527
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
4-(chloromethyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 82775614
4-(chloromethyl)-2-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82775842
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169149734
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
(1R,2R,5R)-5-(3-methoxyphenyl)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 11074909
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
CID 63282356
ethyl 2-(3-methoxyphenyl)oxirane-2-carboxylate
CID 174756675

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 117169887) is [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol is COc1cccc(C2(C)OCC(CO)O2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is PZTMGLPIAVEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(15-8-11(7-13)16-12)9-4-3-5-10(6-9)14-2/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 224.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117169887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).