2-[(2-methylphenyl)methyl]-1-benzoselenophene

C16H14Se — CID 86218111

IUPAC2-[(2-methylphenyl)methyl]-1-benzoselenophene
SMILESCc1ccccc1Cc1cc2ccccc2[se]1
InChIInChI=1S/C16H14Se/c1-12-6-2-3-7-13(12)10-15-11-14-8-4-5-9-16(14)17-15/h2-9,11H,10H2,1H3
InChIKeyPNJONYTYSDWCGQ-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.80
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]-1-benzoselenophene

2-[(2-methylphenyl)methyl]-1-benzoselenophene (PubChem CID 86218111) has the molecular formula C16H14Se and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-1-benzoselenophene.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-1-benzoselenophene
PubChem CID86218111
Molecular FormulaC16H14Se
Molecular Weight285.25 g/mol
Exact Mass286.03
IUPAC Name2-[(2-methylphenyl)methyl]-1-benzoselenophene
SMILESCc1ccccc1Cc1cc2ccccc2[se]1
InChIInChI=1S/C16H14Se/c1-12-6-2-3-7-13(12)10-15-11-14-8-4-5-9-16(14)17-15/h2-9,11H,10H2,1H3
InChIKeyPNJONYTYSDWCGQ-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-8-[(2-methylphenyl)methyl]naphthalene
CID 164971033
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
3-[(2-methylphenyl)methyl]aniline
CID 116925822
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
1-iodo-4-[(2-methylphenyl)methyl]benzene
CID 67085401
2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
1-(chloromethyl)-2-methylbenzene
CID 11093
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667
N,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55135005

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-1-benzoselenophene?
The IUPAC name of 2-[(2-methylphenyl)methyl]-1-benzoselenophene (CID 86218111) is 2-[(2-methylphenyl)methyl]-1-benzoselenophene.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-1-benzoselenophene?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-1-benzoselenophene is Cc1ccccc1Cc1cc2ccccc2[se]1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-1-benzoselenophene?
The InChIKey is PNJONYTYSDWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Se/c1-12-6-2-3-7-13(12)10-15-11-14-8-4-5-9-16(14)17-15/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-1-benzoselenophene?
2-[(2-methylphenyl)methyl]-1-benzoselenophene has a molecular weight of 285.25 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-1-benzoselenophene is sourced from PubChem (CID 86218111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).