CID 71111006

C11H14LiO3 — CID 71111006

IUPAC—
SMILESCC(C)(C)OC(=O)c1ccccc1O.[Li]
InChIInChI=1S/C11H14O3.Li/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;/h4-7,12H,1-3H3;
InChIKeyRLENEIUEJNNOQO-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.97
Rot. Bonds1

About CID 71111006

CID 71111006 (PubChem CID 71111006) has the molecular formula C11H14LiO3 and a molecular weight of 201.17 g/mol.

Molecular Properties

Compound NameCID 71111006
PubChem CID71111006
Molecular FormulaC11H14LiO3
Molecular Weight201.17 g/mol
Exact Mass201.11
IUPAC Name—
SMILESCC(C)(C)OC(=O)c1ccccc1O.[Li]
InChIInChI=1S/C11H14O3.Li/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;/h4-7,12H,1-3H3;
InChIKeyRLENEIUEJNNOQO-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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lithium;hydride;methyl 2-hydroxybenzoate
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sodium;hydride;methyl 2-hydroxybenzoate
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tert-butyl 2-fluorosulfanylbenzoate
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tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl N-methylcarbamate;cyanomethyl 2-hydroxybenzoate
CID 22556052
methyl 2-hydroxybenzoate;urea
CID 174888687
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
CID 174729954
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
tert-butyl 2-(2-hydroxyethyl)benzoate
CID 139709867

Frequently Asked Questions

What is the IUPAC name of CID 71111006?
The IUPAC name of CID 71111006 (CID 71111006) is not available.
What is the SMILES notation for CID 71111006?
The canonical SMILES for CID 71111006 is CC(C)(C)OC(=O)c1ccccc1O.[Li].
What is the InChIKey of CID 71111006?
The InChIKey is RLENEIUEJNNOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.Li/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12;/h4-7,12H,1-3H3;.
What are the key properties of CID 71111006?
CID 71111006 has a molecular weight of 201.17 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71111006 is sourced from PubChem (CID 71111006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).