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

C11H13ClO2 — CID 104543104

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
SMILESCCC(O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H13ClO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3
InChIKeyMBAMPRVHYVNKDG-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.72
Rot. Bonds2

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol (PubChem CID 104543104) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
PubChem CID104543104
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
SMILESCCC(O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H13ClO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3
InChIKeyMBAMPRVHYVNKDG-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol (CID 104543104) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol is CCC(O)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
The InChIKey is MBAMPRVHYVNKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-10(13)9-6-8(12)5-7-3-4-14-11(7)9/h5-6,10,13H,2-4H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 104543104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).