(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone

C16H11ClO2 — CID 1473402

IUPAC(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H11ClO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUTGWVZHTNLQTNW-UHFFFAOYSA-N
MW270.71 g/mol
LogP4.63
Rot. Bonds2

About (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone

(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 1473402) has the molecular formula C16H11ClO2 and a molecular weight of 270.71 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone
PubChem CID1473402
Molecular FormulaC16H11ClO2
Molecular Weight270.71 g/mol
Exact Mass270.04
IUPAC Name(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H11ClO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUTGWVZHTNLQTNW-UHFFFAOYSA-N
XLogP4.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone (CID 1473402) is (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is UTGWVZHTNLQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone?
(5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 270.71 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 1473402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).