3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol

C15H22O2 — CID 66363821

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
SMILESCC(C)C(CC1Cc2ccccc2O1)C(C)O
InChIInChI=1S/C15H22O2/c1-10(2)14(11(3)16)9-13-8-12-6-4-5-7-15(12)17-13/h4-7,10-11,13-14,16H,8-9H2,1-3H3
InChIKeyRYMSAXUQQKLYKE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol (PubChem CID 66363821) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
PubChem CID66363821
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
SMILESCC(C)C(CC1Cc2ccccc2O1)C(C)O
InChIInChI=1S/C15H22O2/c1-10(2)14(11(3)16)9-13-8-12-6-4-5-7-15(12)17-13/h4-7,10-11,13-14,16H,8-9H2,1-3H3
InChIKeyRYMSAXUQQKLYKE-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanoic acid
CID 66365369
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol (CID 66363821) is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol is CC(C)C(CC1Cc2ccccc2O1)C(C)O.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol?
The InChIKey is RYMSAXUQQKLYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)14(11(3)16)9-13-8-12-6-4-5-7-15(12)17-13/h4-7,10-11,13-14,16H,8-9H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol?
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol is sourced from PubChem (CID 66363821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).