6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]

C14H18O — CID 10560055

IUPAC6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
SMILESCc1ccc2c(c1)OC1(CCCCC1)C2
InChIInChI=1S/C14H18O/c1-11-5-6-12-10-14(15-13(12)9-11)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyJBWOJJJHTOJCMN-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.63
Rot. Bonds

About 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]

6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane] (PubChem CID 10560055) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane].

Molecular Properties

Compound Name6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
PubChem CID10560055
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
SMILESCc1ccc2c(c1)OC1(CCCCC1)C2
InChIInChI=1S/C14H18O/c1-11-5-6-12-10-14(15-13(12)9-11)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyJBWOJJJHTOJCMN-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]?
The IUPAC name of 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane] (CID 10560055) is 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane].
What is the SMILES notation for 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]?
The canonical SMILES for 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane] is Cc1ccc2c(c1)OC1(CCCCC1)C2.
What is the InChIKey of 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]?
The InChIKey is JBWOJJJHTOJCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-5-6-12-10-14(15-13(12)9-11)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]?
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane] has a molecular weight of 202.30 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane] is sourced from PubChem (CID 10560055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).