5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one

C18H14O5 — CID 177437467

IUPAC5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one
SMILESCc1c(O)cc(O)c2c(=O)cc(/C=C/c3ccc(O)cc3)oc12
InChIInChI=1S/C18H14O5/c1-10-14(20)9-16(22)17-15(21)8-13(23-18(10)17)7-4-11-2-5-12(19)6-3-11/h2-9,19-20,22H,1H3/b7-4+
InChIKeyRVJWNIHFRVGCTJ-QPJJXVBHSA-N
MW310.31 g/mol
LogP3.39
Rot. Bonds2

About 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one

5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one (PubChem CID 177437467) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one
PubChem CID177437467
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one
SMILESCc1c(O)cc(O)c2c(=O)cc(/C=C/c3ccc(O)cc3)oc12
InChIInChI=1S/C18H14O5/c1-10-14(20)9-16(22)17-15(21)8-13(23-18(10)17)7-4-11-2-5-12(19)6-3-11/h2-9,19-20,22H,1H3/b7-4+
InChIKeyRVJWNIHFRVGCTJ-QPJJXVBHSA-N
XLogP3.39
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one (CID 177437467) is 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one is Cc1c(O)cc(O)c2c(=O)cc(/C=C/c3ccc(O)cc3)oc12.
What is the InChIKey of 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one?
The InChIKey is RVJWNIHFRVGCTJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H14O5/c1-10-14(20)9-16(22)17-15(21)8-13(23-18(10)17)7-4-11-2-5-12(19)6-3-11/h2-9,19-20,22H,1H3/b7-4+.
What are the key properties of 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one?
5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one has a molecular weight of 310.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-8-methylchromen-4-one is sourced from PubChem (CID 177437467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).