5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran

C14H17ClO — CID 141158967

IUPAC5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C3CCCCC3)c1)OCC2
InChIInChI=1S/C14H17ClO/c15-12-8-11-6-7-16-14(11)13(9-12)10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyRKOXOTGLNOKBMY-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.32
Rot. Bonds1

About 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran

5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran (PubChem CID 141158967) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
PubChem CID141158967
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(c(C3CCCCC3)c1)OCC2
InChIInChI=1S/C14H17ClO/c15-12-8-11-6-7-16-14(11)13(9-12)10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyRKOXOTGLNOKBMY-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)azepane
CID 116638621
7-[bromo(oxan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543959
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
CID 113425437
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365169
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
2-(bromomethyl)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]azepane
CID 116638420
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran (CID 141158967) is 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran is Clc1cc2c(c(C3CCCCC3)c1)OCC2.
What is the InChIKey of 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran?
The InChIKey is RKOXOTGLNOKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-12-8-11-6-7-16-14(11)13(9-12)10-4-2-1-3-5-10/h8-10H,1-7H2.
What are the key properties of 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran?
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran has a molecular weight of 236.74 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141158967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).