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

C19H28O2 — CID 63426478

IUPAC(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC(C)(C)C1CCC(C(O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H28O2/c1-19(2,3)16-7-4-13(5-8-16)18(20)15-6-9-17-14(12-15)10-11-21-17/h6,9,12-13,16,18,20H,4-5,7-8,10-11H2,1-3H3
InChIKeyLQBXALPDEYFNOZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.51
Rot. Bonds2

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

(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 63426478) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID63426478
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC(C)(C)C1CCC(C(O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H28O2/c1-19(2,3)16-7-4-13(5-8-16)18(20)15-6-9-17-14(12-15)10-11-21-17/h6,9,12-13,16,18,20H,4-5,7-8,10-11H2,1-3H3
InChIKeyLQBXALPDEYFNOZ-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)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

5-[bromo-(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63438093
2,3-dihydro-1-benzofuran-5-yl-(4-methylcyclohexyl)methanol
CID 64750297
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
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
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
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxyethanol
CID 79567818
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
[2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232601

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 63426478) is (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is CC(C)(C)C1CCC(C(O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is LQBXALPDEYFNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-19(2,3)16-7-4-13(5-8-16)18(20)15-6-9-17-14(12-15)10-11-21-17/h6,9,12-13,16,18,20H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 288.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 63426478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).