5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine

C18H21NO5 — CID 174718034

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
SMILESCN(C)C.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O5.C3H9N/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13;1-4(2)3/h1-6,13,16-18H,7H2;1-3H3
InChIKeyDRFRYPPPFZNXMH-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.69
Rot. Bonds1

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine

5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine (PubChem CID 174718034) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
PubChem CID174718034
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
SMILESCN(C)C.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O5.C3H9N/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13;1-4(2)3/h1-6,13,16-18H,7H2;1-3H3
InChIKeyDRFRYPPPFZNXMH-UHFFFAOYSA-N
XLogP2.69
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine (CID 174718034) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine is CN(C)C.O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine?
The InChIKey is DRFRYPPPFZNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5.C3H9N/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13;1-4(2)3/h1-6,13,16-18H,7H2;1-3H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine?
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine has a molecular weight of 331.37 g/mol, XLogP of 2.69, 1 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)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine is sourced from PubChem (CID 174718034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).