CID 59883683

C9H9O3 — CID 59883683

IUPAC—
SMILESCOC(C([O])=O)c1ccccc1
InChIInChI=1S/C9H9O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyHDDYPANFTUOZHT-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.33
Rot. Bonds3

About CID 59883683

CID 59883683 (PubChem CID 59883683) has the molecular formula C9H9O3 and a molecular weight of 165.17 g/mol.

Molecular Properties

Compound NameCID 59883683
PubChem CID59883683
Molecular FormulaC9H9O3
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name—
SMILESCOC(C([O])=O)c1ccccc1
InChIInChI=1S/C9H9O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyHDDYPANFTUOZHT-UHFFFAOYSA-N
XLogP1.33
TPSA46.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methoxy-2-phenylethanethioic S-acid
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2-methoxy-2-phenylacetate
CID 4569340
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
1-methoxy-1,5-diphenylpentan-2-one
CID 116751355
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
[(1R)-2-fluoro-1-methoxyprop-2-enyl]benzene
CID 129405321

Frequently Asked Questions

What is the IUPAC name of CID 59883683?
The IUPAC name of CID 59883683 (CID 59883683) is not available.
What is the SMILES notation for CID 59883683?
The canonical SMILES for CID 59883683 is COC(C([O])=O)c1ccccc1.
What is the InChIKey of CID 59883683?
The InChIKey is HDDYPANFTUOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of CID 59883683?
CID 59883683 has a molecular weight of 165.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59883683 is sourced from PubChem (CID 59883683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).