CID 101190839

C15H21O3 — CID 101190839

IUPAC—
SMILESCC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1[O]
InChIInChI=1S/C15H21O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8H,1-6H3,(H,17,18)
InChIKeyFRDGWVHOLQENCW-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.12
Rot. Bonds1

About CID 101190839

CID 101190839 (PubChem CID 101190839) has the molecular formula C15H21O3 and a molecular weight of 249.33 g/mol.

Molecular Properties

Compound NameCID 101190839
PubChem CID101190839
Molecular FormulaC15H21O3
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name—
SMILESCC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1[O]
InChIInChI=1S/C15H21O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8H,1-6H3,(H,17,18)
InChIKeyFRDGWVHOLQENCW-UHFFFAOYSA-N
XLogP4.12
TPSA57.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101190839?
The IUPAC name of CID 101190839 (CID 101190839) is not available.
What is the SMILES notation for CID 101190839?
The canonical SMILES for CID 101190839 is CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1[O].
What is the InChIKey of CID 101190839?
The InChIKey is FRDGWVHOLQENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8H,1-6H3,(H,17,18).
What are the key properties of CID 101190839?
CID 101190839 has a molecular weight of 249.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101190839 is sourced from PubChem (CID 101190839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).