benzo[e][1]benzofuran-1-ylmethanol

C13H10O2 — CID 13405240

IUPACbenzo[e][1]benzofuran-1-ylmethanol
SMILESOCc1coc2ccc3ccccc3c12
InChIInChI=1S/C13H10O2/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(10)12/h1-6,8,14H,7H2
InChIKeyYECRMNOAKNABPP-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.08
Rot. Bonds1

About benzo[e][1]benzofuran-1-ylmethanol

benzo[e][1]benzofuran-1-ylmethanol (PubChem CID 13405240) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is benzo[e][1]benzofuran-1-ylmethanol.

Molecular Properties

Compound Namebenzo[e][1]benzofuran-1-ylmethanol
PubChem CID13405240
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Namebenzo[e][1]benzofuran-1-ylmethanol
SMILESOCc1coc2ccc3ccccc3c12
InChIInChI=1S/C13H10O2/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(10)12/h1-6,8,14H,7H2
InChIKeyYECRMNOAKNABPP-UHFFFAOYSA-N
XLogP3.08
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-prop-2-enylbenzo[e][1]benzofuran
CID 57196603
1-methylbenzo[e][1]benzofuran
CID 13085655
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
(4-bromo-1-benzofuran-3-yl)methanol
CID 84690895
2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045

Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran-1-ylmethanol?
The IUPAC name of benzo[e][1]benzofuran-1-ylmethanol (CID 13405240) is benzo[e][1]benzofuran-1-ylmethanol.
What is the SMILES notation for benzo[e][1]benzofuran-1-ylmethanol?
The canonical SMILES for benzo[e][1]benzofuran-1-ylmethanol is OCc1coc2ccc3ccccc3c12.
What is the InChIKey of benzo[e][1]benzofuran-1-ylmethanol?
The InChIKey is YECRMNOAKNABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(10)12/h1-6,8,14H,7H2.
What are the key properties of benzo[e][1]benzofuran-1-ylmethanol?
benzo[e][1]benzofuran-1-ylmethanol has a molecular weight of 198.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran-1-ylmethanol is sourced from PubChem (CID 13405240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).