CID 154380176

C17H22O3 — CID 154380176

IUPAC—
SMILESCCOC(=O)C=C(C)C=CC12OC1(C)C=C=CC2(C)C
InChIInChI=1S/C17H22O3/c1-6-19-14(18)12-13(2)8-11-17-15(3,4)9-7-10-16(17,5)20-17/h8-12H,6H2,1-5H3
InChIKeyYAMZDTFVCBVOGY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds4

About CID 154380176

CID 154380176 (PubChem CID 154380176) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol.

Molecular Properties

Compound NameCID 154380176
PubChem CID154380176
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name—
SMILESCCOC(=O)C=C(C)C=CC12OC1(C)C=C=CC2(C)C
InChIInChI=1S/C17H22O3/c1-6-19-14(18)12-13(2)8-11-17-15(3,4)9-7-10-16(17,5)20-17/h8-12H,6H2,1-5H3
InChIKeyYAMZDTFVCBVOGY-UHFFFAOYSA-N
XLogP3.33
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 154380176?
The IUPAC name of CID 154380176 (CID 154380176) is not available.
What is the SMILES notation for CID 154380176?
The canonical SMILES for CID 154380176 is CCOC(=O)C=C(C)C=CC12OC1(C)C=C=CC2(C)C.
What is the InChIKey of CID 154380176?
The InChIKey is YAMZDTFVCBVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-6-19-14(18)12-13(2)8-11-17-15(3,4)9-7-10-16(17,5)20-17/h8-12H,6H2,1-5H3.
What are the key properties of CID 154380176?
CID 154380176 has a molecular weight of 274.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154380176 is sourced from PubChem (CID 154380176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).