CID 70013385

C18H20ClLiO3P — CID 70013385

IUPAC—
SMILESCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(OCC)c1.[Li]
InChIInChI=1S/C18H20ClO3P.Li/c1-4-21-13-9-10-16(15(11-13)22-5-2)23-18(20)17-12(3)7-6-8-14(17)19;/h6-11,23H,4-5H2,1-3H3;
InChIKeyRYUFHDPOTCVYOU-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.21
Rot. Bonds7

About CID 70013385

CID 70013385 (PubChem CID 70013385) has the molecular formula C18H20ClLiO3P and a molecular weight of 357.72 g/mol.

Molecular Properties

Compound NameCID 70013385
PubChem CID70013385
Molecular FormulaC18H20ClLiO3P
Molecular Weight357.72 g/mol
Exact Mass357.10
IUPAC Name—
SMILESCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(OCC)c1.[Li]
InChIInChI=1S/C18H20ClO3P.Li/c1-4-21-13-9-10-16(15(11-13)22-5-2)23-18(20)17-12(3)7-6-8-14(17)19;/h6-11,23H,4-5H2,1-3H3;
InChIKeyRYUFHDPOTCVYOU-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
CID 70015738
CID 70015738
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
CID 70012742
CID 70012742

Frequently Asked Questions

What is the IUPAC name of CID 70013385?
The IUPAC name of CID 70013385 (CID 70013385) is not available.
What is the SMILES notation for CID 70013385?
The canonical SMILES for CID 70013385 is CCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(OCC)c1.[Li].
What is the InChIKey of CID 70013385?
The InChIKey is RYUFHDPOTCVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO3P.Li/c1-4-21-13-9-10-16(15(11-13)22-5-2)23-18(20)17-12(3)7-6-8-14(17)19;/h6-11,23H,4-5H2,1-3H3;.
What are the key properties of CID 70013385?
CID 70013385 has a molecular weight of 357.72 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70013385 is sourced from PubChem (CID 70013385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).