1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine

C16H11ClN2O — CID 28902016

IUPAC1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
SMILESClc1nnc(-c2ccc3c(c2)CCO3)c2ccccc12
InChIInChI=1S/C16H11ClN2O/c17-16-13-4-2-1-3-12(13)15(18-19-16)11-5-6-14-10(9-11)7-8-20-14/h1-6,9H,7-8H2
InChIKeyXIPCFYKNWSTLGX-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.89
Rot. Bonds1

About 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine

1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine (PubChem CID 28902016) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
PubChem CID28902016
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
SMILESClc1nnc(-c2ccc3c(c2)CCO3)c2ccccc12
InChIInChI=1S/C16H11ClN2O/c17-16-13-4-2-1-3-12(13)15(18-19-16)11-5-6-14-10(9-11)7-8-20-14/h1-6,9H,7-8H2
InChIKeyXIPCFYKNWSTLGX-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
CID 105371530
6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 104544727
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine?
The IUPAC name of 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine (CID 28902016) is 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine is Clc1nnc(-c2ccc3c(c2)CCO3)c2ccccc12.
What is the InChIKey of 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine?
The InChIKey is XIPCFYKNWSTLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-16-13-4-2-1-3-12(13)15(18-19-16)11-5-6-14-10(9-11)7-8-20-14/h1-6,9H,7-8H2.
What are the key properties of 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine?
1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine has a molecular weight of 282.73 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine is sourced from PubChem (CID 28902016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).