2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone

C22H18O5 — CID 123175983

IUPAC2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc3c(c2)OC(O)c2ccccc2-3)cc1
InChIInChI=1S/C22H18O5/c1-25-15-8-6-14(7-9-15)20(23)13-26-16-10-11-18-17-4-2-3-5-19(17)22(24)27-21(18)12-16/h2-12,22,24H,13H2,1H3
InChIKeyDAGZVEBLQDJVIY-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.01
Rot. Bonds5

About 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone

2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone (PubChem CID 123175983) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone
PubChem CID123175983
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc3c(c2)OC(O)c2ccccc2-3)cc1
InChIInChI=1S/C22H18O5/c1-25-15-8-6-14(7-9-15)20(23)13-26-16-10-11-18-17-4-2-3-5-19(17)22(24)27-21(18)12-16/h2-12,22,24H,13H2,1H3
InChIKeyDAGZVEBLQDJVIY-UHFFFAOYSA-N
XLogP4.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
(2Z)-2-[(3-bromophenyl)methylidene]-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 2018656
(2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261166
(2Z)-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 6220443
(2Z)-2-[(4-ethoxyphenyl)methylidene]-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 19261170
6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5266200
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505
4-[2-[[(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]benzonitrile
CID 2006645

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone (CID 123175983) is 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)COc2ccc3c(c2)OC(O)c2ccccc2-3)cc1.
What is the InChIKey of 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone?
The InChIKey is DAGZVEBLQDJVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-25-15-8-6-14(7-9-15)20(23)13-26-16-10-11-18-17-4-2-3-5-19(17)22(24)27-21(18)12-16/h2-12,22,24H,13H2,1H3.
What are the key properties of 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone?
2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone has a molecular weight of 362.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 123175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).