4,5-dihydrobenzo[e][2]benzofuran-5-ol

C12H10O2 — CID 13448879

IUPAC4,5-dihydrobenzo[e][2]benzofuran-5-ol
SMILESOC1Cc2cocc2-c2ccccc21
InChIInChI=1S/C12H10O2/c13-12-5-8-6-14-7-11(8)9-3-1-2-4-10(9)12/h1-4,6-7,12-13H,5H2
InChIKeyBDXOHHQRSNNMOE-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.54
Rot. Bonds

About 4,5-dihydrobenzo[e][2]benzofuran-5-ol

4,5-dihydrobenzo[e][2]benzofuran-5-ol (PubChem CID 13448879) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4,5-dihydrobenzo[e][2]benzofuran-5-ol.

Molecular Properties

Compound Name4,5-dihydrobenzo[e][2]benzofuran-5-ol
PubChem CID13448879
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name4,5-dihydrobenzo[e][2]benzofuran-5-ol
SMILESOC1Cc2cocc2-c2ccccc21
InChIInChI=1S/C12H10O2/c13-12-5-8-6-14-7-11(8)9-3-1-2-4-10(9)12/h1-4,6-7,12-13H,5H2
InChIKeyBDXOHHQRSNNMOE-UHFFFAOYSA-N
XLogP2.54
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrobenzo[e][2]benzofuran-5-ol?
The IUPAC name of 4,5-dihydrobenzo[e][2]benzofuran-5-ol (CID 13448879) is 4,5-dihydrobenzo[e][2]benzofuran-5-ol.
What is the SMILES notation for 4,5-dihydrobenzo[e][2]benzofuran-5-ol?
The canonical SMILES for 4,5-dihydrobenzo[e][2]benzofuran-5-ol is OC1Cc2cocc2-c2ccccc21.
What is the InChIKey of 4,5-dihydrobenzo[e][2]benzofuran-5-ol?
The InChIKey is BDXOHHQRSNNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-12-5-8-6-14-7-11(8)9-3-1-2-4-10(9)12/h1-4,6-7,12-13H,5H2.
What are the key properties of 4,5-dihydrobenzo[e][2]benzofuran-5-ol?
4,5-dihydrobenzo[e][2]benzofuran-5-ol has a molecular weight of 186.21 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[e][2]benzofuran-5-ol is sourced from PubChem (CID 13448879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).