1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol

C16H24O4 — CID 102927687

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
SMILESCOCCOCCC(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H24O4/c1-18-10-11-19-8-7-15(17)4-2-13-3-5-16-14(12-13)6-9-20-16/h3,5,12,15,17H,2,4,6-11H2,1H3
InChIKeyDYKAGDPCLUQHQB-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.97
Rot. Bonds9

About 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol

1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol (PubChem CID 102927687) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
PubChem CID102927687
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
SMILESCOCCOCCC(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H24O4/c1-18-10-11-19-8-7-15(17)4-2-13-3-5-16-14(12-13)6-9-20-16/h3,5,12,15,17H,2,4,6-11H2,1H3
InChIKeyDYKAGDPCLUQHQB-UHFFFAOYSA-N
XLogP1.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
CID 103560129
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxypentan-3-one
CID 79617126
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol (CID 102927687) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol is COCCOCCC(O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol?
The InChIKey is DYKAGDPCLUQHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-10-11-19-8-7-15(17)4-2-13-3-5-16-14(12-13)6-9-20-16/h3,5,12,15,17H,2,4,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol has a molecular weight of 280.36 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol is sourced from PubChem (CID 102927687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).