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

C16H24O2 — CID 66360465

IUPAC4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
SMILESCc1ccc2c(c1)CC(CC(C(C)C)C(C)O)O2
InChIInChI=1S/C16H24O2/c1-10(2)15(12(4)17)9-14-8-13-7-11(3)5-6-16(13)18-14/h5-7,10,12,14-15,17H,8-9H2,1-4H3
InChIKeyBTYQMNRJQOAVQB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds4

About 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol

4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol (PubChem CID 66360465) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
PubChem CID66360465
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
SMILESCc1ccc2c(c1)CC(CC(C(C)C)C(C)O)O2
InChIInChI=1S/C16H24O2/c1-10(2)15(12(4)17)9-14-8-13-7-11(3)5-6-16(13)18-14/h5-7,10,12,14-15,17H,8-9H2,1-4H3
InChIKeyBTYQMNRJQOAVQB-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol with MolForge

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
CID 66361974
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol?
The IUPAC name of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol (CID 66360465) is 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol.
What is the SMILES notation for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol?
The canonical SMILES for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol is Cc1ccc2c(c1)CC(CC(C(C)C)C(C)O)O2.
What is the InChIKey of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol?
The InChIKey is BTYQMNRJQOAVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)15(12(4)17)9-14-8-13-7-11(3)5-6-16(13)18-14/h5-7,10,12,14-15,17H,8-9H2,1-4H3.
What are the key properties of 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol?
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol is sourced from PubChem (CID 66360465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).