6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one

C18H16O5 — CID 162857287

IUPAC6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
SMILESCOc1cc(CCc2cc(=O)c3cc(O)ccc3o2)ccc1O
InChIInChI=1S/C18H16O5/c1-22-18-8-11(3-6-15(18)20)2-5-13-10-16(21)14-9-12(19)4-7-17(14)23-13/h3-4,6-10,19-20H,2,5H2,1H3
InChIKeyQLOATASAWKRWFU-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.00
Rot. Bonds4

About 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one

6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one (PubChem CID 162857287) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
PubChem CID162857287
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
SMILESCOc1cc(CCc2cc(=O)c3cc(O)ccc3o2)ccc1O
InChIInChI=1S/C18H16O5/c1-22-18-8-11(3-6-15(18)20)2-5-13-10-16(21)14-9-12(19)4-7-17(14)23-13/h3-4,6-10,19-20H,2,5H2,1H3
InChIKeyQLOATASAWKRWFU-UHFFFAOYSA-N
XLogP3.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 146036318
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
CID 162852587
7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 10493135
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2,6-dipropylchromen-4-one
CID 58402381
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 118278480
2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
CID 118728002
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
1,7-dihydroxy-4-methoxyxanthen-9-one
CID 5465785
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
The IUPAC name of 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one (CID 162857287) is 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one.
What is the SMILES notation for 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
The canonical SMILES for 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one is COc1cc(CCc2cc(=O)c3cc(O)ccc3o2)ccc1O.
What is the InChIKey of 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
The InChIKey is QLOATASAWKRWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-22-18-8-11(3-6-15(18)20)2-5-13-10-16(21)14-9-12(19)4-7-17(14)23-13/h3-4,6-10,19-20H,2,5H2,1H3.
What are the key properties of 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one is sourced from PubChem (CID 162857287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).