7-chloro-3-methyl-5-phenyl-1-benzofuran

C15H11ClO — CID 114722792

IUPAC7-chloro-3-methyl-5-phenyl-1-benzofuran
SMILESCc1coc2c(Cl)cc(-c3ccccc3)cc12
InChIInChI=1S/C15H11ClO/c1-10-9-17-15-13(10)7-12(8-14(15)16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyQWMIEQVVYMOUBS-UHFFFAOYSA-N
MW242.71 g/mol
LogP5.06
Rot. Bonds1

About 7-chloro-3-methyl-5-phenyl-1-benzofuran

7-chloro-3-methyl-5-phenyl-1-benzofuran (PubChem CID 114722792) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 7-chloro-3-methyl-5-phenyl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-3-methyl-5-phenyl-1-benzofuran
PubChem CID114722792
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name7-chloro-3-methyl-5-phenyl-1-benzofuran
SMILESCc1coc2c(Cl)cc(-c3ccccc3)cc12
InChIInChI=1S/C15H11ClO/c1-10-9-17-15-13(10)7-12(8-14(15)16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyQWMIEQVVYMOUBS-UHFFFAOYSA-N
XLogP5.06
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.71
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-methyl-1-benzofuran
CID 67275578
1,2,3-trichloro-5-(4-phenylphenyl)benzene
CID 71394428
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
CID 102406727
3-chloro-2-methyl-8-phenyldibenzofuran
CID 146616849
4-methyl-2,6,8-triphenyldibenzofuran
CID 71273276
3,6,9-trimethyl-5-phenyl-7H-furo[3,2-g]chromen-7-ol
CID 154968471
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
4-chloro-3-methyl-2-phenylfuran
CID 11106212
N-(8-chloro-3-methylchromen-4-ylidene)hydroxylamine
CID 88825428
ethane;1,3,5-triphenylbenzene
CID 142123051
(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine
CID 63488725

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-5-phenyl-1-benzofuran?
The IUPAC name of 7-chloro-3-methyl-5-phenyl-1-benzofuran (CID 114722792) is 7-chloro-3-methyl-5-phenyl-1-benzofuran.
What is the SMILES notation for 7-chloro-3-methyl-5-phenyl-1-benzofuran?
The canonical SMILES for 7-chloro-3-methyl-5-phenyl-1-benzofuran is Cc1coc2c(Cl)cc(-c3ccccc3)cc12.
What is the InChIKey of 7-chloro-3-methyl-5-phenyl-1-benzofuran?
The InChIKey is QWMIEQVVYMOUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c1-10-9-17-15-13(10)7-12(8-14(15)16)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 7-chloro-3-methyl-5-phenyl-1-benzofuran?
7-chloro-3-methyl-5-phenyl-1-benzofuran has a molecular weight of 242.71 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-5-phenyl-1-benzofuran is sourced from PubChem (CID 114722792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).