(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone

C18H17ClO2 — CID 104544697

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Cl)cc3c2OCC3)c(C)c1
InChIInChI=1S/C18H17ClO2/c1-10-6-11(2)16(12(3)7-10)17(20)15-9-14(19)8-13-4-5-21-18(13)15/h6-9H,4-5H2,1-3H3
InChIKeyGXOIPSHYFVDSON-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.43
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 104544697) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID104544697
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(Cl)cc3c2OCC3)c(C)c1
InChIInChI=1S/C18H17ClO2/c1-10-6-11(2)16(12(3)7-10)17(20)15-9-14(19)8-13-4-5-21-18(13)15/h6-9H,4-5H2,1-3H3
InChIKeyGXOIPSHYFVDSON-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone (CID 104544697) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(Cl)cc3c2OCC3)c(C)c1.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GXOIPSHYFVDSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-10-6-11(2)16(12(3)7-10)17(20)15-9-14(19)8-13-4-5-21-18(13)15/h6-9H,4-5H2,1-3H3.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 300.79 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 104544697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).