5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one

C19H18O6 — CID 25141901

IUPAC5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
SMILESCOCc1c(O)c(COC)c2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C19H18O6/c1-23-9-12-17(21)13(10-24-2)19-16(18(12)22)14(20)8-15(25-19)11-6-4-3-5-7-11/h3-8,21-22H,9-10H2,1-2H3
InChIKeyCCNZCWVMDGAOCY-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.16
Rot. Bonds5

About 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one

5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one (PubChem CID 25141901) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
PubChem CID25141901
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
SMILESCOCc1c(O)c(COC)c2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C19H18O6/c1-23-9-12-17(21)13(10-24-2)19-16(18(12)22)14(20)8-15(25-19)11-6-4-3-5-7-11/h3-8,21-22H,9-10H2,1-2H3
InChIKeyCCNZCWVMDGAOCY-UHFFFAOYSA-N
XLogP3.16
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-bis(ethoxymethyl)-5,7-dihydroxy-2-phenylchromen-4-one
CID 141172325
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5,7-dihydroxy-6,8-bis[(3-methylpiperidin-1-yl)methyl]-2-phenylchromen-4-one
CID 3637360
6,8-bis[(3,3-dimethylpiperidin-1-yl)methyl]-5,7-dihydroxy-2-phenylchromen-4-one
CID 3570113
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
methyl 3-thiophen-3-yl-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
CID 75492147
methyl 5-methyl-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)hexanoate
CID 75491051

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one (CID 25141901) is 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one is COCc1c(O)c(COC)c2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one?
The InChIKey is CCNZCWVMDGAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-23-9-12-17(21)13(10-24-2)19-16(18(12)22)14(20)8-15(25-19)11-6-4-3-5-7-11/h3-8,21-22H,9-10H2,1-2H3.
What are the key properties of 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one?
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one has a molecular weight of 342.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one is sourced from PubChem (CID 25141901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).