CID 175944134

C15H14ClILiMgO — CID 175944134

IUPAC—
SMILESCCOc1ccc(Cc2c[c-]ccc2Cl)cc1.[I-].[Li].[Mg+2]
InChIInChI=1S/C15H14ClO.HI.Li.Mg/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16;;;/h4-10H,2,11H2,1H3;1H;;/q-1;;;+2/p-1
InChIKeySQPOFRKLTOSGET-UHFFFAOYSA-M
MW403.88 g/mol
LogP0.37
Rot. Bonds4

About CID 175944134

CID 175944134 (PubChem CID 175944134) has the molecular formula C15H14ClILiMgO and a molecular weight of 403.88 g/mol.

Molecular Properties

Compound NameCID 175944134
PubChem CID175944134
Molecular FormulaC15H14ClILiMgO
Molecular Weight403.88 g/mol
Exact Mass402.98
IUPAC Name—
SMILESCCOc1ccc(Cc2c[c-]ccc2Cl)cc1.[I-].[Li].[Mg+2]
InChIInChI=1S/C15H14ClO.HI.Li.Mg/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16;;;/h4-10H,2,11H2,1H3;1H;;/q-1;;;+2/p-1
InChIKeySQPOFRKLTOSGET-UHFFFAOYSA-M
XLogP0.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.88
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze CID 175944134 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
CID 145366496
4-tert-butyl-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methane
CID 161337018
1-bromo-2-(bromomethyl)-4-chloro-5-[(4-ethoxyphenyl)methyl]benzene
CID 59557690
methyl 2-bromo-5-chloro-4-[(4-ethoxyphenyl)methyl]benzoate
CID 89453336
3-chloro-2-[(4-ethoxyphenyl)methyl]phenol
CID 67382439
6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1,3,4,5,6-pentahydroxyhexan-2-one
CID 169451490
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
CID 123745786
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983
1-bromo-4-chloro-5-[(4-ethoxyphenyl)methyl]-2-prop-2-enoxybenzene
CID 86728582
(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,6-dimethyloxane;ethane
CID 143602313
(4R)-3-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-oxabicyclo[4.2.0]octane-4,5-diol
CID 144637135

Frequently Asked Questions

What is the IUPAC name of CID 175944134?
The IUPAC name of CID 175944134 (CID 175944134) is not available.
What is the SMILES notation for CID 175944134?
The canonical SMILES for CID 175944134 is CCOc1ccc(Cc2c[c-]ccc2Cl)cc1.[I-].[Li].[Mg+2].
What is the InChIKey of CID 175944134?
The InChIKey is SQPOFRKLTOSGET-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14ClO.HI.Li.Mg/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16;;;/h4-10H,2,11H2,1H3;1H;;/q-1;;;+2/p-1.
What are the key properties of CID 175944134?
CID 175944134 has a molecular weight of 403.88 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175944134 is sourced from PubChem (CID 175944134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).