5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one

C15H20O3 — CID 103344026

IUPAC5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one
SMILESCC(=O)C(CCO)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H20O3/c1-10-3-4-15-13(7-10)9-14(18-15)8-12(5-6-16)11(2)17/h3-4,7,12,14,16H,5-6,8-9H2,1-2H3
InChIKeyCCLNRDZYQOZFCE-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.28
Rot. Bonds5

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

5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one (PubChem CID 103344026) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one
PubChem CID103344026
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one
SMILESCC(=O)C(CCO)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C15H20O3/c1-10-3-4-15-13(7-10)9-14(18-15)8-12(5-6-16)11(2)17/h3-4,7,12,14,16H,5-6,8-9H2,1-2H3
InChIKeyCCLNRDZYQOZFCE-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
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)methyl]pentan-2-amine
CID 66360046
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519
3-[[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]hexan-1-ol
CID 106115486
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 106841886

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one?
The IUPAC name of 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one (CID 103344026) is 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one.
What is the SMILES notation for 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one?
The canonical SMILES for 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one is CC(=O)C(CCO)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one?
The InChIKey is CCLNRDZYQOZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-3-4-15-13(7-10)9-14(18-15)8-12(5-6-16)11(2)17/h3-4,7,12,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one?
5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-one is sourced from PubChem (CID 103344026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).