CID 158970570

C9H10KO2 — CID 158970570

IUPAC—
SMILESCCOC(=O)c1ccccc1.[K]
InChIInChI=1S/C9H10O2.K/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;
InChIKeyJNTLILSTWHVJAC-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.48
Rot. Bonds2

About CID 158970570

CID 158970570 (PubChem CID 158970570) has the molecular formula C9H10KO2 and a molecular weight of 189.28 g/mol.

Molecular Properties

Compound NameCID 158970570
PubChem CID158970570
Molecular FormulaC9H10KO2
Molecular Weight189.28 g/mol
Exact Mass189.03
IUPAC Name—
SMILESCCOC(=O)c1ccccc1.[K]
InChIInChI=1S/C9H10O2.K/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;
InChIKeyJNTLILSTWHVJAC-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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diethyl benzene-1,3-dicarboxylate
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ethyl 4-phenylsulfanylbenzoate
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Frequently Asked Questions

What is the IUPAC name of CID 158970570?
The IUPAC name of CID 158970570 (CID 158970570) is not available.
What is the SMILES notation for CID 158970570?
The canonical SMILES for CID 158970570 is CCOC(=O)c1ccccc1.[K].
What is the InChIKey of CID 158970570?
The InChIKey is JNTLILSTWHVJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.K/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;.
What are the key properties of CID 158970570?
CID 158970570 has a molecular weight of 189.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158970570 is sourced from PubChem (CID 158970570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).