cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate

C24H24O5 — CID 2978712

IUPACcyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
SMILESCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)OC1CCCCC1
InChIInChI=1S/C24H24O5/c1-16(24(26)28-18-10-6-3-7-11-18)27-19-12-13-22-20(14-19)21(25)15-23(29-22)17-8-4-2-5-9-17/h2,4-5,8-9,12-16,18H,3,6-7,10-11H2,1H3
InChIKeyLYCDBLVQPQEZCQ-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.10
Rot. Bonds5

About cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate

cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate (PubChem CID 2978712) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
PubChem CID2978712
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Namecyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
SMILESCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)OC1CCCCC1
InChIInChI=1S/C24H24O5/c1-16(24(26)28-18-10-6-3-7-11-18)27-19-12-13-22-20(14-19)21(25)15-23(29-22)17-8-4-2-5-9-17/h2,4-5,8-9,12-16,18H,3,6-7,10-11H2,1H3
InChIKeyLYCDBLVQPQEZCQ-UHFFFAOYSA-N
XLogP5.10
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate?
The IUPAC name of cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate (CID 2978712) is cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate.
What is the SMILES notation for cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate?
The canonical SMILES for cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate is CC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate?
The InChIKey is LYCDBLVQPQEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-16(24(26)28-18-10-6-3-7-11-18)27-19-12-13-22-20(14-19)21(25)15-23(29-22)17-8-4-2-5-9-17/h2,4-5,8-9,12-16,18H,3,6-7,10-11H2,1H3.
What are the key properties of cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate?
cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate has a molecular weight of 392.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate is sourced from PubChem (CID 2978712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).