CID 59993707

C12H15O3+ — CID 59993707

IUPAC—
SMILES[CH2+]c1ccc(OC(C)C(=O)OCC)cc1
InChIInChI=1S/C12H15O3/c1-4-14-12(13)10(3)15-11-7-5-9(2)6-8-11/h5-8,10H,2,4H2,1,3H3/q+1
InChIKeyADVBENOOZAAQKG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.20
Rot. Bonds4

About CID 59993707

CID 59993707 (PubChem CID 59993707) has the molecular formula C12H15O3+ and a molecular weight of 207.25 g/mol.

Molecular Properties

Compound NameCID 59993707
PubChem CID59993707
Molecular FormulaC12H15O3+
Molecular Weight207.25 g/mol
Exact Mass207.10
IUPAC Name—
SMILES[CH2+]c1ccc(OC(C)C(=O)OCC)cc1
InChIInChI=1S/C12H15O3/c1-4-14-12(13)10(3)15-11-7-5-9(2)6-8-11/h5-8,10H,2,4H2,1,3H3/q+1
InChIKeyADVBENOOZAAQKG-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
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ethyl (2S)-2-(4-methoxyphenoxy)propanoate
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ethyl 2-(4-iodophenoxy)propanoate
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ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
2-ethoxyethyl 2-[4-(4-methylphenyl)phenoxy]propanoate
CID 44635825
ethyl 2-[4-(oxan-4-yl)phenoxy]propanoate
CID 22765982
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630

Frequently Asked Questions

What is the IUPAC name of CID 59993707?
The IUPAC name of CID 59993707 (CID 59993707) is not available.
What is the SMILES notation for CID 59993707?
The canonical SMILES for CID 59993707 is [CH2+]c1ccc(OC(C)C(=O)OCC)cc1.
What is the InChIKey of CID 59993707?
The InChIKey is ADVBENOOZAAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3/c1-4-14-12(13)10(3)15-11-7-5-9(2)6-8-11/h5-8,10H,2,4H2,1,3H3/q+1.
What are the key properties of CID 59993707?
CID 59993707 has a molecular weight of 207.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59993707 is sourced from PubChem (CID 59993707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).