3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene

C18H15ClO — CID 57399281

IUPAC3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene
SMILESClc1ccc(C/C=C/C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H15ClO/c19-17-10-8-14(9-11-17)4-3-5-15-12-16-6-1-2-7-18(16)20-13-15/h1-3,5-12H,4,13H2/b5-3+
InChIKeyHWZHZJZXMRYOMT-HWKANZROSA-N
MW282.77 g/mol
LogP4.91
Rot. Bonds3

About 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene

3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene (PubChem CID 57399281) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene.

Molecular Properties

Compound Name3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene
PubChem CID57399281
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene
SMILESClc1ccc(C/C=C/C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H15ClO/c19-17-10-8-14(9-11-17)4-3-5-15-12-16-6-1-2-7-18(16)20-13-15/h1-3,5-12H,4,13H2/b5-3+
InChIKeyHWZHZJZXMRYOMT-HWKANZROSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene?
The IUPAC name of 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene (CID 57399281) is 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene.
What is the SMILES notation for 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene?
The canonical SMILES for 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene is Clc1ccc(C/C=C/C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene?
The InChIKey is HWZHZJZXMRYOMT-HWKANZROSA-N. The full InChI is InChI=1S/C18H15ClO/c19-17-10-8-14(9-11-17)4-3-5-15-12-16-6-1-2-7-18(16)20-13-15/h1-3,5-12H,4,13H2/b5-3+.
What are the key properties of 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene?
3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene has a molecular weight of 282.77 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene is sourced from PubChem (CID 57399281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).