CID 70014090

C18H20ClLiO4P — CID 70014090

IUPAC—
SMILESCOCCOP(C(=O)c1c(C)cccc1Cl)c1ccc(OC)cc1.[Li]
InChIInChI=1S/C18H20ClO4P.Li/c1-13-5-4-6-16(19)17(13)18(20)24(23-12-11-21-2)15-9-7-14(22-3)8-10-15;/h4-10H,11-12H2,1-3H3;
InChIKeyCNFSNTQCVFPSFO-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.80
Rot. Bonds8

About CID 70014090

CID 70014090 (PubChem CID 70014090) has the molecular formula C18H20ClLiO4P and a molecular weight of 373.72 g/mol.

Molecular Properties

Compound NameCID 70014090
PubChem CID70014090
Molecular FormulaC18H20ClLiO4P
Molecular Weight373.72 g/mol
Exact Mass373.09
IUPAC Name—
SMILESCOCCOP(C(=O)c1c(C)cccc1Cl)c1ccc(OC)cc1.[Li]
InChIInChI=1S/C18H20ClO4P.Li/c1-13-5-4-6-16(19)17(13)18(20)24(23-12-11-21-2)15-9-7-14(22-3)8-10-15;/h4-10H,11-12H2,1-3H3;
InChIKeyCNFSNTQCVFPSFO-UHFFFAOYSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone
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(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
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(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
CID 18400312
CID 70014966
CID 70014966
[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone
CID 70013713
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
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2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
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2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
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1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 70014090?
The IUPAC name of CID 70014090 (CID 70014090) is not available.
What is the SMILES notation for CID 70014090?
The canonical SMILES for CID 70014090 is COCCOP(C(=O)c1c(C)cccc1Cl)c1ccc(OC)cc1.[Li].
What is the InChIKey of CID 70014090?
The InChIKey is CNFSNTQCVFPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO4P.Li/c1-13-5-4-6-16(19)17(13)18(20)24(23-12-11-21-2)15-9-7-14(22-3)8-10-15;/h4-10H,11-12H2,1-3H3;.
What are the key properties of CID 70014090?
CID 70014090 has a molecular weight of 373.72 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014090 is sourced from PubChem (CID 70014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).