[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol

C18H22O7 — CID 139982730

IUPAC[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2ccc(CO)c(CO)c2CO)c(CO)c1CO
InChIInChI=1S/C18H22O7/c19-5-11-1-3-17(15(9-23)13(11)7-21)25-18-4-2-12(6-20)14(8-22)16(18)10-24/h1-4,19-24H,5-10H2
InChIKeyNHGMNNJJPATFJP-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.43
Rot. Bonds8

About [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol

[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol (PubChem CID 139982730) has the molecular formula C18H22O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol
PubChem CID139982730
Molecular FormulaC18H22O7
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2ccc(CO)c(CO)c2CO)c(CO)c1CO
InChIInChI=1S/C18H22O7/c19-5-11-1-3-17(15(9-23)13(11)7-21)25-18-4-2-12(6-20)14(8-22)16(18)10-24/h1-4,19-24H,5-10H2
InChIKeyNHGMNNJJPATFJP-UHFFFAOYSA-N
XLogP0.43
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 50.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol?
The IUPAC name of [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol (CID 139982730) is [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol is OCc1ccc(Oc2ccc(CO)c(CO)c2CO)c(CO)c1CO.
What is the InChIKey of [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol?
The InChIKey is NHGMNNJJPATFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O7/c19-5-11-1-3-17(15(9-23)13(11)7-21)25-18-4-2-12(6-20)14(8-22)16(18)10-24/h1-4,19-24H,5-10H2.
What are the key properties of [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol?
[2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol has a molecular weight of 350.37 g/mol, XLogP of 0.43, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(hydroxymethyl)-4-[2,3,4-tris(hydroxymethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 139982730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).