3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol

C15H22O2 — CID 66393909

IUPAC3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
SMILESCc1ccc2c(c1)CC(CC(CO)C(C)C)O2
InChIInChI=1S/C15H22O2/c1-10(2)13(9-16)8-14-7-12-6-11(3)4-5-15(12)17-14/h4-6,10,13-14,16H,7-9H2,1-3H3
InChIKeyYIUWTMVMLWMEDT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds4

About 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol

3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol (PubChem CID 66393909) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
PubChem CID66393909
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
SMILESCc1ccc2c(c1)CC(CC(CO)C(C)C)O2
InChIInChI=1S/C15H22O2/c1-10(2)13(9-16)8-14-7-12-6-11(3)4-5-15(12)17-14/h4-6,10,13-14,16H,7-9H2,1-3H3
InChIKeyYIUWTMVMLWMEDT-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol 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-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one
CID 103344026
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]but-3-en-1-ol
CID 102641833

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol (CID 66393909) is 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol is Cc1ccc2c(c1)CC(CC(CO)C(C)C)O2.
What is the InChIKey of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
The InChIKey is YIUWTMVMLWMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)13(9-16)8-14-7-12-6-11(3)4-5-15(12)17-14/h4-6,10,13-14,16H,7-9H2,1-3H3.
What are the key properties of 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol?
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol is sourced from PubChem (CID 66393909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).