5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one

C19H18O6 — CID 162943028

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
SMILESCOc1c(O)c(C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C19H18O6/c1-9(2)14-16(22)19(24-3)17(23)15-12(21)8-13(25-18(14)15)10-4-6-11(20)7-5-10/h4-9,20,22-23H,1-3H3
InChIKeyYZXOGQNVFAWBQA-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.71
Rot. Bonds3

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one (PubChem CID 162943028) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
PubChem CID162943028
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
SMILESCOc1c(O)c(C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C19H18O6/c1-9(2)14-16(22)19(24-3)17(23)15-12(21)8-13(25-18(14)15)10-4-6-11(20)7-5-10/h4-9,20,22-23H,1-3H3
InChIKeyYZXOGQNVFAWBQA-UHFFFAOYSA-N
XLogP3.71
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 15870477
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
CID 130383696
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethylchromen-4-one
CID 10065066
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
5,7-dihydroxy-6-methoxy-2-(4-methylsulfonylphenyl)chromen-4-one
CID 57405632
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 68743449
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
CID 95048626

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one (CID 162943028) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one is COc1c(O)c(C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one?
The InChIKey is YZXOGQNVFAWBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-9(2)14-16(22)19(24-3)17(23)15-12(21)8-13(25-18(14)15)10-4-6-11(20)7-5-10/h4-9,20,22-23H,1-3H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one has a molecular weight of 342.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one is sourced from PubChem (CID 162943028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).