5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran

C14H15ClO — CID 104544423

IUPAC5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran
SMILESClC1C=C(c2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C14H15ClO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h4-5,8-9,13H,1-3,6-7H2
InChIKeyTUQMQTXBEKFWES-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.80
Rot. Bonds1

About 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran

5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran (PubChem CID 104544423) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran
PubChem CID104544423
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran
SMILESClC1C=C(c2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C14H15ClO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h4-5,8-9,13H,1-3,6-7H2
InChIKeyTUQMQTXBEKFWES-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
CID 107383052
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
2-(2-chloroethyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 62199935
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran (CID 104544423) is 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran is ClC1C=C(c2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is TUQMQTXBEKFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h4-5,8-9,13H,1-3,6-7H2.
What are the key properties of 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran?
5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 234.73 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104544423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).