2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one

C24H20O7 — CID 162811970

IUPAC2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)cc(OCCO)c12
InChIInChI=1S/C24H20O7/c25-8-9-30-19-12-17(26)13-20-21(19)22(28)23(29)24(31-20)15-6-7-18(27)16(11-15)10-14-4-2-1-3-5-14/h1-7,11-13,25-27,29H,8-10H2
InChIKeyNTOXBHZWUGROKX-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.54
Rot. Bonds6

About 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one

2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one (PubChem CID 162811970) has the molecular formula C24H20O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one
PubChem CID162811970
Molecular FormulaC24H20O7
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)cc(OCCO)c12
InChIInChI=1S/C24H20O7/c25-8-9-30-19-12-17(26)13-20-21(19)22(28)23(29)24(31-20)15-6-7-18(27)16(11-15)10-14-4-2-1-3-5-14/h1-7,11-13,25-27,29H,8-10H2
InChIKeyNTOXBHZWUGROKX-UHFFFAOYSA-N
XLogP3.54
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-4-hydroxyphenyl)-5-(1,5-dihydroxypentan-2-yloxy)-3,7-dihydroxychromen-4-one
CID 163080562
2-(3-benzyl-4-hydroxyphenyl)-5-[(2R)-1,5-dihydroxypentan-2-yl]oxy-3,7-dihydroxychromen-4-one
CID 163080563
2-[3-benzyl-4-hydroxy-5-(2-methylpropyl)phenyl]-3,7-dihydroxy-5-(3-hydroxypropoxy)chromen-4-one
CID 162802981
8-(3-benzyl-4-hydroxyphenyl)-5,9-dihydroxy-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one
CID 163052038
2-[3-benzyl-4-hydroxy-5-(2-methylpropyl)phenyl]-3,7-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)propoxy]chromen-4-one
CID 162992074
2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)chromen-4-one
CID 171380544
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
6-benzyl-2-(3,4-dihydroxyphenyl)-3,5,7-tris(phenylmethoxy)chromen-4-one
CID 18703867
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 102052885
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one?
The IUPAC name of 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one (CID 162811970) is 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one.
What is the SMILES notation for 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one?
The canonical SMILES for 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one is O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc(O)cc(OCCO)c12.
What is the InChIKey of 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one?
The InChIKey is NTOXBHZWUGROKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O7/c25-8-9-30-19-12-17(26)13-20-21(19)22(28)23(29)24(31-20)15-6-7-18(27)16(11-15)10-14-4-2-1-3-5-14/h1-7,11-13,25-27,29H,8-10H2.
What are the key properties of 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one?
2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one has a molecular weight of 420.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-4-hydroxyphenyl)-3,7-dihydroxy-5-(2-hydroxyethoxy)chromen-4-one is sourced from PubChem (CID 162811970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).