CID 174459800

C8H7Cl2OSe — CID 174459800

IUPAC—
SMILESCOc1ccc([Se])c(C(Cl)Cl)c1
InChIInChI=1S/C8H7Cl2OSe/c1-11-5-2-3-7(12)6(4-5)8(9)10/h2-4,8H,1H3
InChIKeyOVROMNGGGYCNNM-UHFFFAOYSA-N
MW269.01 g/mol
LogP1.97
Rot. Bonds2

About CID 174459800

CID 174459800 (PubChem CID 174459800) has the molecular formula C8H7Cl2OSe and a molecular weight of 269.01 g/mol.

Molecular Properties

Compound NameCID 174459800
PubChem CID174459800
Molecular FormulaC8H7Cl2OSe
Molecular Weight269.01 g/mol
Exact Mass268.90
IUPAC Name—
SMILESCOc1ccc([Se])c(C(Cl)Cl)c1
InChIInChI=1S/C8H7Cl2OSe/c1-11-5-2-3-7(12)6(4-5)8(9)10/h2-4,8H,1H3
InChIKeyOVROMNGGGYCNNM-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.01
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
CID 131170136
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
1-chloro-1-(2-hydroxy-5-methoxyphenyl)propan-2-one
CID 131010117
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415

Frequently Asked Questions

What is the IUPAC name of CID 174459800?
The IUPAC name of CID 174459800 (CID 174459800) is not available.
What is the SMILES notation for CID 174459800?
The canonical SMILES for CID 174459800 is COc1ccc([Se])c(C(Cl)Cl)c1.
What is the InChIKey of CID 174459800?
The InChIKey is OVROMNGGGYCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2OSe/c1-11-5-2-3-7(12)6(4-5)8(9)10/h2-4,8H,1H3.
What are the key properties of CID 174459800?
CID 174459800 has a molecular weight of 269.01 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174459800 is sourced from PubChem (CID 174459800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).