(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol

C11H11ClO2 — CID 96826863

IUPAC(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
SMILESCC[C@H](O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C11H11ClO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6,9,13H,2H2,1H3/t9-/m0/s1
InChIKeyQHUNUPFUKBRWAI-VIFPVBQESA-N
MW210.66 g/mol
LogP3.53
Rot. Bonds2

About (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol

(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol (PubChem CID 96826863) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
PubChem CID96826863
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
SMILESCC[C@H](O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C11H11ClO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6,9,13H,2H2,1H3/t9-/m0/s1
InChIKeyQHUNUPFUKBRWAI-VIFPVBQESA-N
XLogP3.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114727014
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol (CID 96826863) is (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol is CC[C@H](O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is QHUNUPFUKBRWAI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6,9,13H,2H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol?
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 210.66 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 96826863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).