6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene

C18H15ClO — CID 56655958

IUPAC6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
SMILESClc1ccc2c(c1)C=C(/C=C/Cc1ccccc1)CO2
InChIInChI=1S/C18H15ClO/c19-17-9-10-18-16(12-17)11-15(13-20-18)8-4-7-14-5-2-1-3-6-14/h1-6,8-12H,7,13H2/b8-4+
InChIKeySOUPDMSMHZUOGE-XBXARRHUSA-N
MW282.77 g/mol
LogP4.91
Rot. Bonds3

About 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene

6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene (PubChem CID 56655958) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
PubChem CID56655958
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
SMILESClc1ccc2c(c1)C=C(/C=C/Cc1ccccc1)CO2
InChIInChI=1S/C18H15ClO/c19-17-9-10-18-16(12-17)11-15(13-20-18)8-4-7-14-5-2-1-3-6-14/h1-6,8-12H,7,13H2/b8-4+
InChIKeySOUPDMSMHZUOGE-XBXARRHUSA-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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Related Compounds

(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
CID 46192447
(E)-1-(2-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one
CID 46192581
(E)-3-(6-chloro-2H-chromen-3-yl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 110886570
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 46192582
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
CID 60586277
2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
CID 9399460
1-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 26978496
3-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
CID 26787994
N-[1-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 33309407
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24516163
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134015443
6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde
CID 14971264

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene?
The IUPAC name of 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene (CID 56655958) is 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene.
What is the SMILES notation for 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene?
The canonical SMILES for 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene is Clc1ccc2c(c1)C=C(/C=C/Cc1ccccc1)CO2.
What is the InChIKey of 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene?
The InChIKey is SOUPDMSMHZUOGE-XBXARRHUSA-N. The full InChI is InChI=1S/C18H15ClO/c19-17-9-10-18-16(12-17)11-15(13-20-18)8-4-7-14-5-2-1-3-6-14/h1-6,8-12H,7,13H2/b8-4+.
What are the key properties of 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene?
6-chloro-3-[(E)-3-phenylprop-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 6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene is sourced from PubChem (CID 56655958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).