CID 172781038

C10H10KO4 — CID 172781038

IUPAC—
SMILESO=C(O)Cc1ccccc1CC(=O)O.[K]
InChIInChI=1S/C10H10O4.K/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);
InChIKeyOGJFPOLTRFCUCJ-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.56
Rot. Bonds4

About CID 172781038

CID 172781038 (PubChem CID 172781038) has the molecular formula C10H10KO4 and a molecular weight of 233.28 g/mol.

Molecular Properties

Compound NameCID 172781038
PubChem CID172781038
Molecular FormulaC10H10KO4
Molecular Weight233.28 g/mol
Exact Mass233.02
IUPAC Name—
SMILESO=C(O)Cc1ccccc1CC(=O)O.[K]
InChIInChI=1S/C10H10O4.K/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);
InChIKeyOGJFPOLTRFCUCJ-UHFFFAOYSA-N
XLogP0.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172781001
CID 172781001
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
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2-[2-(dihydroxymethyl)phenyl]acetic acid
CID 178118262
2-(2-methylphenyl)acetic acid
CID 67440217
2-[2-(phosphonomethyl)phenyl]acetic acid
CID 19803397
2-[2-(chlorooxymethyl)phenyl]acetic acid
CID 174719829
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of CID 172781038?
The IUPAC name of CID 172781038 (CID 172781038) is not available.
What is the SMILES notation for CID 172781038?
The canonical SMILES for CID 172781038 is O=C(O)Cc1ccccc1CC(=O)O.[K].
What is the InChIKey of CID 172781038?
The InChIKey is OGJFPOLTRFCUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.K/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14;/h1-4H,5-6H2,(H,11,12)(H,13,14);.
What are the key properties of CID 172781038?
CID 172781038 has a molecular weight of 233.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172781038 is sourced from PubChem (CID 172781038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).