CID 135043978

C9H9O2+ — CID 135043978

IUPAC—
SMILES[CH2+]C(=O)c1ccccc1OC
InChIInChI=1S/C9H9O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1H2,2H3/q+1
InChIKeyZYGKXUDYGYDXFF-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.71
Rot. Bonds2

About CID 135043978

CID 135043978 (PubChem CID 135043978) has the molecular formula C9H9O2+ and a molecular weight of 149.17 g/mol.

Molecular Properties

Compound NameCID 135043978
PubChem CID135043978
Molecular FormulaC9H9O2+
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name—
SMILES[CH2+]C(=O)c1ccccc1OC
InChIInChI=1S/C9H9O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1H2,2H3/q+1
InChIKeyZYGKXUDYGYDXFF-UHFFFAOYSA-N
XLogP1.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15664665
2-methoxybenzoyl iodide
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2-methoxybenzoate;hydrochloride
CID 18793456
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
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ethane;methyl 2-methoxybenzoate
CID 178037044
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144

Frequently Asked Questions

What is the IUPAC name of CID 135043978?
The IUPAC name of CID 135043978 (CID 135043978) is not available.
What is the SMILES notation for CID 135043978?
The canonical SMILES for CID 135043978 is [CH2+]C(=O)c1ccccc1OC.
What is the InChIKey of CID 135043978?
The InChIKey is ZYGKXUDYGYDXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1H2,2H3/q+1.
What are the key properties of CID 135043978?
CID 135043978 has a molecular weight of 149.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135043978 is sourced from PubChem (CID 135043978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).