1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone

C22H20O6 — CID 123553272

IUPAC1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
SMILESCOc1c(OCc2ccccc2)cc(O)c(C(=O)Cc2ccc(O)cc2)c1O
InChIInChI=1S/C22H20O6/c1-27-22-19(28-13-15-5-3-2-4-6-15)12-18(25)20(21(22)26)17(24)11-14-7-9-16(23)10-8-14/h2-10,12,23,25-26H,11,13H2,1H3
InChIKeyIGOJTIKTKLHJHO-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.82
Rot. Bonds7

About 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone

1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 123553272) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
PubChem CID123553272
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
SMILESCOc1c(OCc2ccccc2)cc(O)c(C(=O)Cc2ccc(O)cc2)c1O
InChIInChI=1S/C22H20O6/c1-27-22-19(28-13-15-5-3-2-4-6-15)12-18(25)20(21(22)26)17(24)11-14-7-9-16(23)10-8-14/h2-10,12,23,25-26H,11,13H2,1H3
InChIKeyIGOJTIKTKLHJHO-UHFFFAOYSA-N
XLogP3.82
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
CID 24795402
1-[3,4-bis(phenylmethoxy)phenyl]-3-(6-hydroxy-2,3,4-trimethoxyphenyl)propane-1,3-dione
CID 10119740
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
(E)-1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134867863
1-(2-hydroxy-3,4-dimethoxy-6-phenylmethoxyphenyl)dodecan-1-one
CID 14873626
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
1-(3,4-dimethoxy-5-phenylmethoxyphenyl)-3-(2-hydroxy-3,4-dimethoxyphenyl)propane-1,3-dione
CID 24750378
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 58914630
ethyl 3-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 10741488

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone (CID 123553272) is 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone is COc1c(OCc2ccccc2)cc(O)c(C(=O)Cc2ccc(O)cc2)c1O.
What is the InChIKey of 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is IGOJTIKTKLHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-27-22-19(28-13-15-5-3-2-4-6-15)12-18(25)20(21(22)26)17(24)11-14-7-9-16(23)10-8-14/h2-10,12,23,25-26H,11,13H2,1H3.
What are the key properties of 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 380.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 123553272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).