5-chloro-6-phenyl-2,3-dihydro-1-benzofuran

C14H11ClO — CID 12878337

IUPAC5-chloro-6-phenyl-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(cc1-c1ccccc1)OCC2
InChIInChI=1S/C14H11ClO/c15-13-8-11-6-7-16-14(11)9-12(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyHKLHUMUOWXLIBE-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.94
Rot. Bonds1

About 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran

5-chloro-6-phenyl-2,3-dihydro-1-benzofuran (PubChem CID 12878337) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-6-phenyl-2,3-dihydro-1-benzofuran
PubChem CID12878337
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name5-chloro-6-phenyl-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(cc1-c1ccccc1)OCC2
InChIInChI=1S/C14H11ClO/c15-13-8-11-6-7-16-14(11)9-12(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyHKLHUMUOWXLIBE-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-6-phenyl-2,3-dihydro-1-benzofuran
CID 12878338
N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486713
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
1,2,4-trichloro-5-phenylbenzene
CID 27514
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
4,5-diphenyl-2,3-dihydro-1-benzofuran
CID 154231459
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
4-chloro-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
CID 141474154
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
CID 28902016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran (CID 12878337) is 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran is Clc1cc2c(cc1-c1ccccc1)OCC2.
What is the InChIKey of 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran?
The InChIKey is HKLHUMUOWXLIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-13-8-11-6-7-16-14(11)9-12(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran?
5-chloro-6-phenyl-2,3-dihydro-1-benzofuran has a molecular weight of 230.69 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-phenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 12878337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).