1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol

C15H21ClO4 — CID 102927503

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(O)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H21ClO4/c1-18-6-7-19-4-3-14(17)10-12-9-13(16)8-11-2-5-20-15(11)12/h8-9,14,17H,2-7,10H2,1H3
InChIKeyKGERQYZAGYDBIT-UHFFFAOYSA-N
MW300.78 g/mol
LogP2.23
Rot. Bonds8

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol (PubChem CID 102927503) has the molecular formula C15H21ClO4 and a molecular weight of 300.78 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol
PubChem CID102927503
Molecular FormulaC15H21ClO4
Molecular Weight300.78 g/mol
Exact Mass300.11
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(O)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H21ClO4/c1-18-6-7-19-4-3-14(17)10-12-9-13(16)8-11-2-5-20-15(11)12/h8-9,14,17H,2-7,10H2,1H3
InChIKeyKGERQYZAGYDBIT-UHFFFAOYSA-N
XLogP2.23
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 52.23
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-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol
CID 105123648
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560234
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381
3-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methoxybutan-1-amine
CID 106242783
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 106859484
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115830773
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
6-amino-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylhexan-2-one
CID 116613481

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol (CID 102927503) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol is COCCOCCC(O)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol?
The InChIKey is KGERQYZAGYDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4/c1-18-6-7-19-4-3-14(17)10-12-9-13(16)8-11-2-5-20-15(11)12/h8-9,14,17H,2-7,10H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol has a molecular weight of 300.78 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol is sourced from PubChem (CID 102927503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).