(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone

C17H13ClO2 — CID 114321295

IUPAC(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc3c(Cl)cccc3o2)cc1
InChIInChI=1S/C17H13ClO2/c1-2-11-6-8-12(9-7-11)17(19)16-10-13-14(18)4-3-5-15(13)20-16/h3-10H,2H2,1H3
InChIKeyNFLYTHORZIEOHA-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.88
Rot. Bonds3

About (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone

(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone (PubChem CID 114321295) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
PubChem CID114321295
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc3c(Cl)cccc3o2)cc1
InChIInChI=1S/C17H13ClO2/c1-2-11-6-8-12(9-7-11)17(19)16-10-13-14(18)4-3-5-15(13)20-16/h3-10H,2H2,1H3
InChIKeyNFLYTHORZIEOHA-UHFFFAOYSA-N
XLogP4.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
CID 114321311
(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
CID 114321340
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
4-chloro-2-ethyl-1-benzofuran
CID 173058646
1-(4-chloro-1-benzofuran-2-yl)propan-2-one
CID 117194376
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
2-(2,3-dichlorophenyl)-1-(4-ethylphenyl)ethanone
CID 107307811
[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2689437

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone (CID 114321295) is (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cc3c(Cl)cccc3o2)cc1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone?
The InChIKey is NFLYTHORZIEOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-2-11-6-8-12(9-7-11)17(19)16-10-13-14(18)4-3-5-15(13)20-16/h3-10H,2H2,1H3.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone?
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone has a molecular weight of 284.74 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 114321295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).