CID 159103638

C19H21LiOP — CID 159103638

IUPAC—
SMILESCc1cccc(-c2ccccc2)c1C(=O)PC1CCCC1.[Li]
InChIInChI=1S/C19H21OP.Li/c1-14-8-7-13-17(15-9-3-2-4-10-15)18(14)19(20)21-16-11-5-6-12-16;/h2-4,7-10,13,16,21H,5-6,11-12H2,1H3;
InChIKeyKDPIHQQOELDXIS-UHFFFAOYSA-N
MW303.29 g/mol
LogP5.04
Rot. Bonds4

About CID 159103638

CID 159103638 (PubChem CID 159103638) has the molecular formula C19H21LiOP and a molecular weight of 303.29 g/mol.

Molecular Properties

Compound NameCID 159103638
PubChem CID159103638
Molecular FormulaC19H21LiOP
Molecular Weight303.29 g/mol
Exact Mass303.15
IUPAC Name—
SMILESCc1cccc(-c2ccccc2)c1C(=O)PC1CCCC1.[Li]
InChIInChI=1S/C19H21OP.Li/c1-14-8-7-13-17(15-9-3-2-4-10-15)18(14)19(20)21-16-11-5-6-12-16;/h2-4,7-10,13,16,21H,5-6,11-12H2,1H3;
InChIKeyKDPIHQQOELDXIS-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.29
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 160597109
CID 160597109
lithium;cyclohexylphosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
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ethyl 2-methyl-6-phenylbenzoate
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carbonic acid;1,2-dimethyl-3-phenylbenzene
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CID 174476920
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
3,4-dimethyl-N-[1-(2-methyl-6-phenylphenyl)ethenyl]aniline
CID 126519224
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid
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lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
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Frequently Asked Questions

What is the IUPAC name of CID 159103638?
The IUPAC name of CID 159103638 (CID 159103638) is not available.
What is the SMILES notation for CID 159103638?
The canonical SMILES for CID 159103638 is Cc1cccc(-c2ccccc2)c1C(=O)PC1CCCC1.[Li].
What is the InChIKey of CID 159103638?
The InChIKey is KDPIHQQOELDXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21OP.Li/c1-14-8-7-13-17(15-9-3-2-4-10-15)18(14)19(20)21-16-11-5-6-12-16;/h2-4,7-10,13,16,21H,5-6,11-12H2,1H3;.
What are the key properties of CID 159103638?
CID 159103638 has a molecular weight of 303.29 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159103638 is sourced from PubChem (CID 159103638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).