5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one

C26H28O4 — CID 71603175

IUPAC5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one
SMILESCc1ccc(C(=O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
InChIInChI=1S/C26H28O4/c1-18-10-12-20(13-11-18)22(27)15-14-21-17-30-24-9-5-8-23(25(24)26(21)28)29-16-19-6-3-2-4-7-19/h5,8-13,17,19H,2-4,6-7,14-16H2,1H3
InChIKeyRIIDPCHFYNMIPP-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.88
Rot. Bonds7

About 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one

5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one (PubChem CID 71603175) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one
PubChem CID71603175
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one
SMILESCc1ccc(C(=O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
InChIInChI=1S/C26H28O4/c1-18-10-12-20(13-11-18)22(27)15-14-21-17-30-24-9-5-8-23(25(24)26(21)28)29-16-19-6-3-2-4-7-19/h5,8-13,17,19H,2-4,6-7,14-16H2,1H3
InChIKeyRIIDPCHFYNMIPP-UHFFFAOYSA-N
XLogP5.88
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylmethoxy)-3-[(3,4,5-trimethoxyphenyl)methyl]chromen-4-one
CID 46703209
3-[[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]methyl]-5-(cyclohexylmethoxy)chromen-4-one
CID 46898015
5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-hydroxyphenyl)methyl]amino]methyl]chromen-4-one
CID 71451105
5-(cyclohexylmethoxy)-3-(2,3,4-trimethoxyphenyl)chromen-4-one
CID 46906618
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
ethyl 4-[2-(cyclohexylmethoxy)phenyl]-4-oxobutanoate
CID 11723416
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455572

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one?
The IUPAC name of 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one (CID 71603175) is 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one.
What is the SMILES notation for 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one?
The canonical SMILES for 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one is Cc1ccc(C(=O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1.
What is the InChIKey of 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one?
The InChIKey is RIIDPCHFYNMIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-18-10-12-20(13-11-18)22(27)15-14-21-17-30-24-9-5-8-23(25(24)26(21)28)29-16-19-6-3-2-4-7-19/h5,8-13,17,19H,2-4,6-7,14-16H2,1H3.
What are the key properties of 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one?
5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one has a molecular weight of 404.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-3-[3-(4-methylphenyl)-3-oxopropyl]chromen-4-one is sourced from PubChem (CID 71603175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).