spiro[3H-1-benzofuran-2,1'-cyclohexane]

C13H16O — CID 572447

IUPACspiro[3H-1-benzofuran-2,1'-cyclohexane]
SMILESc1ccc2c(c1)CC1(CCCCC1)O2
InChIInChI=1S/C13H16O/c1-4-8-13(9-5-1)10-11-6-2-3-7-12(11)14-13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyNBRDIJDCPCLUPB-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.32
Rot. Bonds

About spiro[3H-1-benzofuran-2,1'-cyclohexane]

spiro[3H-1-benzofuran-2,1'-cyclohexane] (PubChem CID 572447) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is spiro[3H-1-benzofuran-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[3H-1-benzofuran-2,1'-cyclohexane]
PubChem CID572447
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namespiro[3H-1-benzofuran-2,1'-cyclohexane]
SMILESc1ccc2c(c1)CC1(CCCCC1)O2
InChIInChI=1S/C13H16O/c1-4-8-13(9-5-1)10-11-6-2-3-7-12(11)14-13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyNBRDIJDCPCLUPB-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzofuran-2,1'-cyclohexane]?
The IUPAC name of spiro[3H-1-benzofuran-2,1'-cyclohexane] (CID 572447) is spiro[3H-1-benzofuran-2,1'-cyclohexane].
What is the SMILES notation for spiro[3H-1-benzofuran-2,1'-cyclohexane]?
The canonical SMILES for spiro[3H-1-benzofuran-2,1'-cyclohexane] is c1ccc2c(c1)CC1(CCCCC1)O2.
What is the InChIKey of spiro[3H-1-benzofuran-2,1'-cyclohexane]?
The InChIKey is NBRDIJDCPCLUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-8-13(9-5-1)10-11-6-2-3-7-12(11)14-13/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of spiro[3H-1-benzofuran-2,1'-cyclohexane]?
spiro[3H-1-benzofuran-2,1'-cyclohexane] has a molecular weight of 188.27 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzofuran-2,1'-cyclohexane] is sourced from PubChem (CID 572447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).