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

C15H21ClO3 — CID 105123648

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H21ClO3/c1-2-5-18-6-4-14(17)10-12-9-13(16)8-11-3-7-19-15(11)12/h8-9,14,17H,2-7,10H2,1H3
InChIKeyXMKALDNOPVGAIT-UHFFFAOYSA-N
MW284.78 g/mol
LogP2.99
Rot. Bonds7

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol (PubChem CID 105123648) has the molecular formula C15H21ClO3 and a molecular weight of 284.78 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol
PubChem CID105123648
Molecular FormulaC15H21ClO3
Molecular Weight284.78 g/mol
Exact Mass284.12
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H21ClO3/c1-2-5-18-6-4-14(17)10-12-9-13(16)8-11-3-7-19-15(11)12/h8-9,14,17H,2-7,10H2,1H3
InChIKeyXMKALDNOPVGAIT-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-4-(2-methoxyethoxy)butan-2-ol
CID 102927503
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560234
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
CID 113403548
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115830773
5-chloro-7-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 113403748
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
CID 105031448
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol (CID 105123648) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol is CCCOCCC(O)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol?
The InChIKey is XMKALDNOPVGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3/c1-2-5-18-6-4-14(17)10-12-9-13(16)8-11-3-7-19-15(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-propoxybutan-2-ol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol has a molecular weight of 284.78 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol is sourced from PubChem (CID 105123648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).