7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one

C17H14O4 — CID 58402386

IUPAC7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(CO)cc2)coc2cc(CO)ccc12
InChIInChI=1S/C17H14O4/c18-8-11-1-4-13(5-2-11)15-10-21-16-7-12(9-19)3-6-14(16)17(15)20/h1-7,10,18-19H,8-9H2
InChIKeyGOQOSZMPPVLOAV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.44
Rot. Bonds3

About 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one

7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one (PubChem CID 58402386) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
PubChem CID58402386
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(CO)cc2)coc2cc(CO)ccc12
InChIInChI=1S/C17H14O4/c18-8-11-1-4-13(5-2-11)15-10-21-16-7-12(9-19)3-6-14(16)17(15)20/h1-7,10,18-19H,8-9H2
InChIKeyGOQOSZMPPVLOAV-UHFFFAOYSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one?
The IUPAC name of 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one (CID 58402386) is 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one.
What is the SMILES notation for 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one?
The canonical SMILES for 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one is O=c1c(-c2ccc(CO)cc2)coc2cc(CO)ccc12.
What is the InChIKey of 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one?
The InChIKey is GOQOSZMPPVLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-8-11-1-4-13(5-2-11)15-10-21-16-7-12(9-19)3-6-14(16)17(15)20/h1-7,10,18-19H,8-9H2.
What are the key properties of 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one?
7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one is sourced from PubChem (CID 58402386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).