(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol

C11H12O2 — CID 163092912

IUPAC(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
SMILESC=C(C)[C@@H]1Cc2ccc(O)cc2O1
InChIInChI=1S/C11H12O2/c1-7(2)10-5-8-3-4-9(12)6-11(8)13-10/h3-4,6,10,12H,1,5H2,2H3/t10-/m0/s1
InChIKeyNUDTXQJCDWVIJC-JTQLQIEISA-N
MW176.21 g/mol
LogP2.27
Rot. Bonds1

About (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol

(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 163092912) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
PubChem CID163092912
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
SMILESC=C(C)[C@@H]1Cc2ccc(O)cc2O1
InChIInChI=1S/C11H12O2/c1-7(2)10-5-8-3-4-9(12)6-11(8)13-10/h3-4,6,10,12H,1,5H2,2H3/t10-/m0/s1
InChIKeyNUDTXQJCDWVIJC-JTQLQIEISA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol (CID 163092912) is (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol is C=C(C)[C@@H]1Cc2ccc(O)cc2O1.
What is the InChIKey of (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is NUDTXQJCDWVIJC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O2/c1-7(2)10-5-8-3-4-9(12)6-11(8)13-10/h3-4,6,10,12H,1,5H2,2H3/t10-/m0/s1.
What are the key properties of (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol?
(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 176.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 163092912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).