1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol

C13H15ClO3 — CID 105129479

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H15ClO3/c1-8(2)16-7-11(15)13-6-9-5-10(14)3-4-12(9)17-13/h3-6,8,11,15H,7H2,1-2H3
InChIKeySXROEHFROHSWQA-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol

1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol (PubChem CID 105129479) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
PubChem CID105129479
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C13H15ClO3/c1-8(2)16-7-11(15)13-6-9-5-10(14)3-4-12(9)17-13/h3-6,8,11,15H,7H2,1-2H3
InChIKeySXROEHFROHSWQA-UHFFFAOYSA-N
XLogP3.54
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-chloro-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103217135
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
methyl 4-[2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethoxy]benzoate
CID 15337970
1-(5-chloro-1-benzofuran-2-yl)-2-cycloheptylethanol
CID 115836585
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
1-(5-chloro-1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114727014
1-(5-chloro-1-benzofuran-2-yl)-2,2-diethoxyethanamine
CID 114729832

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol (CID 105129479) is 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol is CC(C)OCC(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol?
The InChIKey is SXROEHFROHSWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-8(2)16-7-11(15)13-6-9-5-10(14)3-4-12(9)17-13/h3-6,8,11,15H,7H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol?
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol has a molecular weight of 254.71 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 105129479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).