2-methyl-2,3-dihydro-1-benzoselenophen-7-ol

C9H10OSe — CID 140597302

IUPAC2-methyl-2,3-dihydro-1-benzoselenophen-7-ol
SMILESCC1Cc2cccc(O)c2[Se]1
InChIInChI=1S/C9H10OSe/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-4,6,10H,5H2,1H3
InChIKeyXMBFXVSSWWZYPP-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.09
Rot. Bonds

About 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol

2-methyl-2,3-dihydro-1-benzoselenophen-7-ol (PubChem CID 140597302) has the molecular formula C9H10OSe and a molecular weight of 213.14 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzoselenophen-7-ol
PubChem CID140597302
Molecular FormulaC9H10OSe
Molecular Weight213.14 g/mol
Exact Mass213.99
IUPAC Name2-methyl-2,3-dihydro-1-benzoselenophen-7-ol
SMILESCC1Cc2cccc(O)c2[Se]1
InChIInChI=1S/C9H10OSe/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-4,6,10H,5H2,1H3
InChIKeyXMBFXVSSWWZYPP-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 138550787
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 130036440
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069
2,3-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 145380029
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 105427855
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol
CID 156582450
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
1-[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanone
CID 59916130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol (CID 140597302) is 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol is CC1Cc2cccc(O)c2[Se]1.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol?
The InChIKey is XMBFXVSSWWZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OSe/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-4,6,10H,5H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol?
2-methyl-2,3-dihydro-1-benzoselenophen-7-ol has a molecular weight of 213.14 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzoselenophen-7-ol is sourced from PubChem (CID 140597302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).