4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran

C13H16O — CID 142978777

IUPAC4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
SMILESCC1CCCC2c3ccccc3OC12
InChIInChI=1S/C13H16O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-3,6,8-9,11,13H,4-5,7H2,1H3
InChIKeyHISAFXYXNXXRBX-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.35
Rot. Bonds

About 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran

4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran (PubChem CID 142978777) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran.

Molecular Properties

Compound Name4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
PubChem CID142978777
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
SMILESCC1CCCC2c3ccccc3OC12
InChIInChI=1S/C13H16O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-3,6,8-9,11,13H,4-5,7H2,1H3
InChIKeyHISAFXYXNXXRBX-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3aS,4R,9bR)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
CID 23648462
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
(2-methylcyclopentyl)benzene
CID 12600454
N-cyclopropyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 112714860
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 11298135
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
2a,7a-dihydro-2H-oxeto[2,3-b][1]benzofuran
CID 19848130
8-tert-butyl-1,2,3,4,4a,9b-hexahydrodibenzofuran-4-ol
CID 10848035
(1-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)methanol
CID 54340891
(3aS,8bR)-1-methyl-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 12969897
(1R,8S,9R,11S)-10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2,4,6-triene
CID 102239877

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The IUPAC name of 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran (CID 142978777) is 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran.
What is the SMILES notation for 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The canonical SMILES for 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran is CC1CCCC2c3ccccc3OC12.
What is the InChIKey of 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The InChIKey is HISAFXYXNXXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-3,6,8-9,11,13H,4-5,7H2,1H3.
What are the key properties of 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran has a molecular weight of 188.27 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran is sourced from PubChem (CID 142978777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).