(1S)-1-(1-benzofuran-3-yl)ethanol

C10H10O2 — CID 15075484

IUPAC(1S)-1-(1-benzofuran-3-yl)ethanol
SMILESC[C@H](O)c1coc2ccccc12
InChIInChI=1S/C10H10O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-7,11H,1H3/t7-/m0/s1
InChIKeyNMCNKLINDNOOQJ-ZETCQYMHSA-N
MW162.19 g/mol
LogP2.49
Rot. Bonds1

About (1S)-1-(1-benzofuran-3-yl)ethanol

(1S)-1-(1-benzofuran-3-yl)ethanol (PubChem CID 15075484) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S)-1-(1-benzofuran-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-benzofuran-3-yl)ethanol
PubChem CID15075484
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1S)-1-(1-benzofuran-3-yl)ethanol
SMILESC[C@H](O)c1coc2ccccc12
InChIInChI=1S/C10H10O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-7,11H,1H3/t7-/m0/s1
InChIKeyNMCNKLINDNOOQJ-ZETCQYMHSA-N
XLogP2.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzofuran-3-yl)ethanol?
The IUPAC name of (1S)-1-(1-benzofuran-3-yl)ethanol (CID 15075484) is (1S)-1-(1-benzofuran-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-benzofuran-3-yl)ethanol?
The canonical SMILES for (1S)-1-(1-benzofuran-3-yl)ethanol is C[C@H](O)c1coc2ccccc12.
What is the InChIKey of (1S)-1-(1-benzofuran-3-yl)ethanol?
The InChIKey is NMCNKLINDNOOQJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-7,11H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1-benzofuran-3-yl)ethanol?
(1S)-1-(1-benzofuran-3-yl)ethanol has a molecular weight of 162.19 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzofuran-3-yl)ethanol is sourced from PubChem (CID 15075484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).