CID 58273328

C17H16O2 — CID 58273328

IUPAC—
SMILES[CH]COc1ccc(Cc2ccc(OC[CH])cc2)cc1
InChIInChI=1S/C17H16O2/c1-3-18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-4-2/h1-2,5-12H,3-4,13H2
InChIKeyAMARJUJZBHFQCE-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.46
Rot. Bonds6

About CID 58273328

CID 58273328 (PubChem CID 58273328) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol.

Molecular Properties

Compound NameCID 58273328
PubChem CID58273328
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name—
SMILES[CH]COc1ccc(Cc2ccc(OC[CH])cc2)cc1
InChIInChI=1S/C17H16O2/c1-3-18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-4-2/h1-2,5-12H,3-4,13H2
InChIKeyAMARJUJZBHFQCE-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58273328?
The IUPAC name of CID 58273328 (CID 58273328) is not available.
What is the SMILES notation for CID 58273328?
The canonical SMILES for CID 58273328 is [CH]COc1ccc(Cc2ccc(OC[CH])cc2)cc1.
What is the InChIKey of CID 58273328?
The InChIKey is AMARJUJZBHFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-4-2/h1-2,5-12H,3-4,13H2.
What are the key properties of CID 58273328?
CID 58273328 has a molecular weight of 252.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58273328 is sourced from PubChem (CID 58273328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).