4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one

C11H10O5 — CID 10727725

IUPAC4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one
SMILESCOc1ccc(-c2oc(=O)oc2CO)cc1
InChIInChI=1S/C11H10O5/c1-14-8-4-2-7(3-5-8)10-9(6-12)15-11(13)16-10/h2-5,12H,6H2,1H3
InChIKeyARAFGNBTYXWJFF-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.40
Rot. Bonds3

About 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one

4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one (PubChem CID 10727725) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one
PubChem CID10727725
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one
SMILESCOc1ccc(-c2oc(=O)oc2CO)cc1
InChIInChI=1S/C11H10O5/c1-14-8-4-2-7(3-5-8)10-9(6-12)15-11(13)16-10/h2-5,12H,6H2,1H3
InChIKeyARAFGNBTYXWJFF-UHFFFAOYSA-N
XLogP1.40
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669
6-butyl-5-(4-methoxyphenyl)pyran-2-one
CID 11242353
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
4-[1-(4-methoxyphenoxy)ethenyl]-5-propyl-1,3-dioxol-2-one
CID 141356923
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
CID 10510878
(4-methoxyphenyl)methanol
CID 7738
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
(1S)-1-[bis[[5-(4-methoxyphenyl)-2-oxo-1,3-dioxol-4-yl]methoxy]phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid
CID 11274355
2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 152915211
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one
CID 176683065
(6-methoxy-2-benzofuran-1-yl)methanol
CID 56998706

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one (CID 10727725) is 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one is COc1ccc(-c2oc(=O)oc2CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one?
The InChIKey is ARAFGNBTYXWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-14-8-4-2-7(3-5-8)10-9(6-12)15-11(13)16-10/h2-5,12H,6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one?
4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one has a molecular weight of 222.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-dioxol-2-one is sourced from PubChem (CID 10727725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).