2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol

C16H22O2 — CID 64750297

IUPAC2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H22O2/c1-11-2-4-12(5-3-11)16(17)14-6-7-15-13(10-14)8-9-18-15/h6-7,10-12,16-17H,2-5,8-9H2,1H3
InChIKeySADCRDNMWAJOEA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.48
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol (PubChem CID 64750297) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
PubChem CID64750297
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C16H22O2/c1-11-2-4-12(5-3-11)16(17)14-6-7-15-13(10-14)8-9-18-15/h6-7,10-12,16-17H,2-5,8-9H2,1H3
InChIKeySADCRDNMWAJOEA-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol 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-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 63426478
2,3-dihydro-1-benzofuran-5-yl(piperidin-4-yl)methanol
CID 43146493
2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
CID 43146492
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol (CID 64750297) is 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol is CC1CCC(C(O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol?
The InChIKey is SADCRDNMWAJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-2-4-12(5-3-11)16(17)14-6-7-15-13(10-14)8-9-18-15/h6-7,10-12,16-17H,2-5,8-9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 64750297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).