2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol

C14H20O2 — CID 66391376

IUPAC2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
SMILESCc1ccc2c(c1)CC(CCC(C)CO)O2
InChIInChI=1S/C14H20O2/c1-10-4-6-14-12(7-10)8-13(16-14)5-3-11(2)9-15/h4,6-7,11,13,15H,3,5,8-9H2,1-2H3
InChIKeyNKYPDBBMQVODAC-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.71
Rot. Bonds4

About 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol

2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol (PubChem CID 66391376) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
PubChem CID66391376
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
SMILESCc1ccc2c(c1)CC(CCC(C)CO)O2
InChIInChI=1S/C14H20O2/c1-10-4-6-14-12(7-10)8-13(16-14)5-3-11(2)9-15/h4,6-7,11,13,15H,3,5,8-9H2,1-2H3
InChIKeyNKYPDBBMQVODAC-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
CID 66362736
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine
CID 66362161
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol?
The IUPAC name of 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol (CID 66391376) is 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol?
The canonical SMILES for 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol is Cc1ccc2c(c1)CC(CCC(C)CO)O2.
What is the InChIKey of 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol?
The InChIKey is NKYPDBBMQVODAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-4-6-14-12(7-10)8-13(16-14)5-3-11(2)9-15/h4,6-7,11,13,15H,3,5,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol?
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol is sourced from PubChem (CID 66391376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).