1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone

C22H19NO5 — CID 123611279

IUPAC1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone
SMILESCOc1cc2c(cc1OCc1ccncc1)OC(O)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C22H19NO5/c1-13(24)15-3-4-16-17-10-20(26-2)21(27-12-14-5-7-23-8-6-14)11-19(17)28-22(25)18(16)9-15/h3-11,22,25H,12H2,1-2H3
InChIKeyRKXOSZSNGNDJKQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.92
Rot. Bonds5

About 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone

1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone (PubChem CID 123611279) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone.

Molecular Properties

Compound Name1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone
PubChem CID123611279
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone
SMILESCOc1cc2c(cc1OCc1ccncc1)OC(O)c1cc(C(C)=O)ccc1-2
InChIInChI=1S/C22H19NO5/c1-13(24)15-3-4-16-17-10-20(26-2)21(27-12-14-5-7-23-8-6-14)11-19(17)28-22(25)18(16)9-15/h3-11,22,25H,12H2,1-2H3
InChIKeyRKXOSZSNGNDJKQ-UHFFFAOYSA-N
XLogP3.92
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone with MolForge

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Related Compounds

1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone
CID 71158672
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716333
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
4-[[2-(3-methoxy-4-pyridinyl)-4-oxo-2,3-dihydrochromen-7-yl]oxymethyl]benzamide
CID 156871059
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
methyl 2-[2-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]acetate
CID 22938241
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene
CID 70801990
2-[(6-hydroxy-6H-benzo[c]chromen-3-yl)oxy]-1-(4-methoxyphenyl)ethanone
CID 123175983

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone?
The IUPAC name of 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone (CID 123611279) is 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone.
What is the SMILES notation for 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone?
The canonical SMILES for 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone is COc1cc2c(cc1OCc1ccncc1)OC(O)c1cc(C(C)=O)ccc1-2.
What is the InChIKey of 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone?
The InChIKey is RKXOSZSNGNDJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-13(24)15-3-4-16-17-10-20(26-2)21(27-12-14-5-7-23-8-6-14)11-19(17)28-22(25)18(16)9-15/h3-11,22,25H,12H2,1-2H3.
What are the key properties of 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone?
1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone has a molecular weight of 377.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-2-methoxy-3-(pyridin-4-ylmethoxy)-6H-benzo[c]chromen-8-yl]ethanone is sourced from PubChem (CID 123611279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).