(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene

C25H23ClO2 — CID 166857377

IUPAC(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene
SMILESCOc1ccc2c(c1)OC(c1ccccc1)=C/C2=C\C=C1/CCCC(C)=C1Cl
InChIInChI=1S/C25H23ClO2/c1-17-7-6-10-19(25(17)26)11-12-20-15-23(18-8-4-3-5-9-18)28-24-16-21(27-2)13-14-22(20)24/h3-5,8-9,11-16H,6-7,10H2,1-2H3/b19-11+,20-12+
InChIKeyFNRKFXKYEAYFJS-AYKLPDECSA-N
MW390.91 g/mol
LogP7.14
Rot. Bonds3

About (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene

(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene (PubChem CID 166857377) has the molecular formula C25H23ClO2 and a molecular weight of 390.91 g/mol. Its IUPAC name is (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene.

Molecular Properties

Compound Name(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene
PubChem CID166857377
Molecular FormulaC25H23ClO2
Molecular Weight390.91 g/mol
Exact Mass390.14
IUPAC Name(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene
SMILESCOc1ccc2c(c1)OC(c1ccccc1)=C/C2=C\C=C1/CCCC(C)=C1Cl
InChIInChI=1S/C25H23ClO2/c1-17-7-6-10-19(25(17)26)11-12-20-15-23(18-8-4-3-5-9-18)28-24-16-21(27-2)13-14-22(20)24/h3-5,8-9,11-16H,6-7,10H2,1-2H3/b19-11+,20-12+
InChIKeyFNRKFXKYEAYFJS-AYKLPDECSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene?
The IUPAC name of (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene (CID 166857377) is (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene.
What is the SMILES notation for (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene?
The canonical SMILES for (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene is COc1ccc2c(c1)OC(c1ccccc1)=C/C2=C\C=C1/CCCC(C)=C1Cl.
What is the InChIKey of (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene?
The InChIKey is FNRKFXKYEAYFJS-AYKLPDECSA-N. The full InChI is InChI=1S/C25H23ClO2/c1-17-7-6-10-19(25(17)26)11-12-20-15-23(18-8-4-3-5-9-18)28-24-16-21(27-2)13-14-22(20)24/h3-5,8-9,11-16H,6-7,10H2,1-2H3/b19-11+,20-12+.
What are the key properties of (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene?
(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene has a molecular weight of 390.91 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene is sourced from PubChem (CID 166857377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).