7-cyclohexyloxy-3-phenylchromen-4-one

C21H20O3 — CID 174329821

IUPAC7-cyclohexyloxy-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cc(OC3CCCCC3)ccc12
InChIInChI=1S/C21H20O3/c22-21-18-12-11-17(24-16-9-5-2-6-10-16)13-20(18)23-14-19(21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2
InChIKeyNSUZZYFORCHTMY-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.17
Rot. Bonds3

About 7-cyclohexyloxy-3-phenylchromen-4-one

7-cyclohexyloxy-3-phenylchromen-4-one (PubChem CID 174329821) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-cyclohexyloxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-cyclohexyloxy-3-phenylchromen-4-one
PubChem CID174329821
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name7-cyclohexyloxy-3-phenylchromen-4-one
SMILESO=c1c(-c2ccccc2)coc2cc(OC3CCCCC3)ccc12
InChIInChI=1S/C21H20O3/c22-21-18-12-11-17(24-16-9-5-2-6-10-16)13-20(18)23-14-19(21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2
InChIKeyNSUZZYFORCHTMY-UHFFFAOYSA-N
XLogP5.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one
CID 66572171
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-phenyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 7767201
3-phenyl-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 99804353
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
cyclohexyl 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate
CID 2788889

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyloxy-3-phenylchromen-4-one?
The IUPAC name of 7-cyclohexyloxy-3-phenylchromen-4-one (CID 174329821) is 7-cyclohexyloxy-3-phenylchromen-4-one.
What is the SMILES notation for 7-cyclohexyloxy-3-phenylchromen-4-one?
The canonical SMILES for 7-cyclohexyloxy-3-phenylchromen-4-one is O=c1c(-c2ccccc2)coc2cc(OC3CCCCC3)ccc12.
What is the InChIKey of 7-cyclohexyloxy-3-phenylchromen-4-one?
The InChIKey is NSUZZYFORCHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c22-21-18-12-11-17(24-16-9-5-2-6-10-16)13-20(18)23-14-19(21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2.
What are the key properties of 7-cyclohexyloxy-3-phenylchromen-4-one?
7-cyclohexyloxy-3-phenylchromen-4-one has a molecular weight of 320.39 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyloxy-3-phenylchromen-4-one is sourced from PubChem (CID 174329821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).