1-(6-phenoxy-2H-chromen-3-yl)ethanone

C17H14O3 — CID 14971313

IUPAC1-(6-phenoxy-2H-chromen-3-yl)ethanone
SMILESCC(=O)C1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C17H14O3/c1-12(18)14-9-13-10-16(7-8-17(13)19-11-14)20-15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeyYXXVAVIIKMCQNP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.84
Rot. Bonds3

About 1-(6-phenoxy-2H-chromen-3-yl)ethanone

1-(6-phenoxy-2H-chromen-3-yl)ethanone (PubChem CID 14971313) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(6-phenoxy-2H-chromen-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-phenoxy-2H-chromen-3-yl)ethanone
PubChem CID14971313
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-(6-phenoxy-2H-chromen-3-yl)ethanone
SMILESCC(=O)C1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C17H14O3/c1-12(18)14-9-13-10-16(7-8-17(13)19-11-14)20-15-5-3-2-4-6-15/h2-10H,11H2,1H3
InChIKeyYXXVAVIIKMCQNP-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid
CID 19815622
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 166186910
methyl 6-hydroxy-2H-chromene-3-carboxylate
CID 162712930
(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine
CID 10705261
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide
CID 70374691
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
N-[[6-(4-tert-butylphenoxy)-2H-chromen-3-yl]methyl]hydroxylamine
CID 14971276
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
[(4-methoxyphenyl)-phenylmethyl] 2H-chromene-3-carboxylate
CID 3231535

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenoxy-2H-chromen-3-yl)ethanone?
The IUPAC name of 1-(6-phenoxy-2H-chromen-3-yl)ethanone (CID 14971313) is 1-(6-phenoxy-2H-chromen-3-yl)ethanone.
What is the SMILES notation for 1-(6-phenoxy-2H-chromen-3-yl)ethanone?
The canonical SMILES for 1-(6-phenoxy-2H-chromen-3-yl)ethanone is CC(=O)C1=Cc2cc(Oc3ccccc3)ccc2OC1.
What is the InChIKey of 1-(6-phenoxy-2H-chromen-3-yl)ethanone?
The InChIKey is YXXVAVIIKMCQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12(18)14-9-13-10-16(7-8-17(13)19-11-14)20-15-5-3-2-4-6-15/h2-10H,11H2,1H3.
What are the key properties of 1-(6-phenoxy-2H-chromen-3-yl)ethanone?
1-(6-phenoxy-2H-chromen-3-yl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenoxy-2H-chromen-3-yl)ethanone is sourced from PubChem (CID 14971313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).