(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one

C24H22O2 — CID 157413475

IUPAC(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one
SMILESCCc1ccc2c(c1)C1=C(COc3ccccc31)/C(=C/C=C(C)C)C2=O
InChIInChI=1S/C24H22O2/c1-4-16-10-12-17-20(13-16)23-19-7-5-6-8-22(19)26-14-21(23)18(24(17)25)11-9-15(2)3/h5-13H,4,14H2,1-3H3/b18-11-
InChIKeyQCCSYCLSDCJSHF-WQRHYEAKSA-N
MW342.44 g/mol
LogP5.53
Rot. Bonds2

About (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one

(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one (PubChem CID 157413475) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one.

Molecular Properties

Compound Name(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one
PubChem CID157413475
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one
SMILESCCc1ccc2c(c1)C1=C(COc3ccccc31)/C(=C/C=C(C)C)C2=O
InChIInChI=1S/C24H22O2/c1-4-16-10-12-17-20(13-16)23-19-7-5-6-8-22(19)26-14-21(23)18(24(17)25)11-9-15(2)3/h5-13H,4,14H2,1-3H3/b18-11-
InChIKeyQCCSYCLSDCJSHF-WQRHYEAKSA-N
XLogP5.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one?
The IUPAC name of (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one (CID 157413475) is (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one.
What is the SMILES notation for (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one?
The canonical SMILES for (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one is CCc1ccc2c(c1)C1=C(COc3ccccc31)/C(=C/C=C(C)C)C2=O.
What is the InChIKey of (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one?
The InChIKey is QCCSYCLSDCJSHF-WQRHYEAKSA-N. The full InChI is InChI=1S/C24H22O2/c1-4-16-10-12-17-20(13-16)23-19-7-5-6-8-22(19)26-14-21(23)18(24(17)25)11-9-15(2)3/h5-13H,4,14H2,1-3H3/b18-11-.
What are the key properties of (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one?
(7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one has a molecular weight of 342.44 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-11-ethyl-7-(3-methylbut-2-enylidene)-6H-naphtho[2,1-c]chromen-8-one is sourced from PubChem (CID 157413475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).