(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one

C17H13ClO3 — CID 60586277

IUPAC(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)o1
InChIInChI=1S/C17H13ClO3/c1-11-2-6-17(21-11)15(19)5-3-12-8-13-9-14(18)4-7-16(13)20-10-12/h2-9H,10H2,1H3/b5-3+
InChIKeyWEUCLESQNQEPMK-HWKANZROSA-N
MW300.74 g/mol
LogP4.46
Rot. Bonds3

About (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one

(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 60586277) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID60586277
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)o1
InChIInChI=1S/C17H13ClO3/c1-11-2-6-17(21-11)15(19)5-3-12-8-13-9-14(18)4-7-16(13)20-10-12/h2-9H,10H2,1H3/b5-3+
InChIKeyWEUCLESQNQEPMK-HWKANZROSA-N
XLogP4.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-chloro-2H-chromen-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
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3-(6,8-dichloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
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(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
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(E)-1-(2-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one
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(E)-3-(6-chloro-2H-chromen-3-yl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
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(E)-3-(6-chloro-2H-chromen-3-yl)-1-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-en-1-one
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(E)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
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3-(6-chloro-2H-chromen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
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(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide
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2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
CID 9399460
6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
CID 56655958
(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (CID 60586277) is (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)o1.
What is the InChIKey of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is WEUCLESQNQEPMK-HWKANZROSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-11-2-6-17(21-11)15(19)5-3-12-8-13-9-14(18)4-7-16(13)20-10-12/h2-9H,10H2,1H3/b5-3+.
What are the key properties of (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one?
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 300.74 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-2H-chromen-3-yl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 60586277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).