CID 58090349

C12H10O4 — CID 58090349

IUPAC—
SMILES[CH]C(=O)OCC(OC([CH])=O)c1ccccc1
InChIInChI=1S/C12H10O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h1-7,12H,8H2
InChIKeyMBTAWKXBNSAWCG-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.24
Rot. Bonds4

About CID 58090349

CID 58090349 (PubChem CID 58090349) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol.

Molecular Properties

Compound NameCID 58090349
PubChem CID58090349
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name—
SMILES[CH]C(=O)OCC(OC([CH])=O)c1ccccc1
InChIInChI=1S/C12H10O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h1-7,12H,8H2
InChIKeyMBTAWKXBNSAWCG-UHFFFAOYSA-N
XLogP1.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[(1R)-2-methoxy-1-phenylethyl] acetate
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[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate
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(2-amino-1-phenylethyl) carbamate
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(2-bromo-1-phenylethyl) carbamate
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(2-hydroxy-1-phenylethyl) 2-hydroxy-2-phenylacetate
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1-phenylpropyl 2-phenylpropanoate
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[(2S)-2-[4-(2-methylpropoxy)benzoyl]oxy-2-phenylethyl] 4-(2-methylpropoxy)benzoate
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Frequently Asked Questions

What is the IUPAC name of CID 58090349?
The IUPAC name of CID 58090349 (CID 58090349) is not available.
What is the SMILES notation for CID 58090349?
The canonical SMILES for CID 58090349 is [CH]C(=O)OCC(OC([CH])=O)c1ccccc1.
What is the InChIKey of CID 58090349?
The InChIKey is MBTAWKXBNSAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h1-7,12H,8H2.
What are the key properties of CID 58090349?
CID 58090349 has a molecular weight of 218.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58090349 is sourced from PubChem (CID 58090349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).