CID 59952147

C12H10AlO3 — CID 59952147

IUPAC—
SMILESC[Al]OC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C11H8O3.CH3.Al/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;/h1-6,12H,(H,13,14);1H3;/q;;+1/p-1
InChIKeyUWJKHAUBODUUQL-UHFFFAOYSA-M
MW229.19 g/mol
LogP2.37
Rot. Bonds2

About CID 59952147

CID 59952147 (PubChem CID 59952147) has the molecular formula C12H10AlO3 and a molecular weight of 229.19 g/mol.

Molecular Properties

Compound NameCID 59952147
PubChem CID59952147
Molecular FormulaC12H10AlO3
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name—
SMILESC[Al]OC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C11H8O3.CH3.Al/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;/h1-6,12H,(H,13,14);1H3;/q;;+1/p-1
InChIKeyUWJKHAUBODUUQL-UHFFFAOYSA-M
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methylsulfonyl 3-hydroxynaphthalene-2-carboxylate
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3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
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3-hydroxynaphthalene-2-carboxamide
CID 19317
CID 69256301
CID 69256301
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7485849
3-hydroxy-5-(3-hydroxynaphthalene-2-carbonyl)oxybenzoic acid
CID 68737174
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
methyl 4-[3-(3-hydroxynaphthalen-2-yl)-3-oxopropanoyl]benzoate
CID 58209954
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 7891532
(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864

Frequently Asked Questions

What is the IUPAC name of CID 59952147?
The IUPAC name of CID 59952147 (CID 59952147) is not available.
What is the SMILES notation for CID 59952147?
The canonical SMILES for CID 59952147 is C[Al]OC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of CID 59952147?
The InChIKey is UWJKHAUBODUUQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O3.CH3.Al/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;;/h1-6,12H,(H,13,14);1H3;/q;;+1/p-1.
What are the key properties of CID 59952147?
CID 59952147 has a molecular weight of 229.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59952147 is sourced from PubChem (CID 59952147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).