CID 87209027

C9H9InO2 — CID 87209027

IUPAC—
SMILESO=C([In])C(CO)c1ccccc1
InChIInChI=1S/C9H9O2.In/c10-6-9(7-11)8-4-2-1-3-5-8;/h1-5,9-10H,6H2;
InChIKeyARAXOKWNNHYVTM-UHFFFAOYSA-N
MW263.99 g/mol
LogP0.46
Rot. Bonds3

About CID 87209027

CID 87209027 (PubChem CID 87209027) has the molecular formula C9H9InO2 and a molecular weight of 263.99 g/mol.

Molecular Properties

Compound NameCID 87209027
PubChem CID87209027
Molecular FormulaC9H9InO2
Molecular Weight263.99 g/mol
Exact Mass263.96
IUPAC Name—
SMILESO=C([In])C(CO)c1ccccc1
InChIInChI=1S/C9H9O2.In/c10-6-9(7-11)8-4-2-1-3-5-8;/h1-5,9-10H,6H2;
InChIKeyARAXOKWNNHYVTM-UHFFFAOYSA-N
XLogP0.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.99
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
3-hydroxy-1-(2-hydroxyphenyl)-2-phenylpropan-1-one
CID 175475394
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
ethenyl 3-hydroxy-2-phenylpropanoate
CID 168863164
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate
CID 67610750
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
N-ethoxy-3-hydroxy-2-phenylpropanamide
CID 121218721
5-hydroxy-2-phenylpentanoic acid
CID 79006638
2-phenylbutanedioic acid
CID 161009404

Frequently Asked Questions

What is the IUPAC name of CID 87209027?
The IUPAC name of CID 87209027 (CID 87209027) is not available.
What is the SMILES notation for CID 87209027?
The canonical SMILES for CID 87209027 is O=C([In])C(CO)c1ccccc1.
What is the InChIKey of CID 87209027?
The InChIKey is ARAXOKWNNHYVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.In/c10-6-9(7-11)8-4-2-1-3-5-8;/h1-5,9-10H,6H2;.
What are the key properties of CID 87209027?
CID 87209027 has a molecular weight of 263.99 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87209027 is sourced from PubChem (CID 87209027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).