4-phenyloxan-4-ol

C11H14O2 — CID 2741305

IUPAC4-phenyloxan-4-ol
SMILESOC1(c2ccccc2)CCOCC1
InChIInChI=1S/C11H14O2/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeySFZFKBASNCZZMV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.68
Rot. Bonds1

About 4-phenyloxan-4-ol

4-phenyloxan-4-ol (PubChem CID 2741305) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-phenyloxan-4-ol.

Molecular Properties

Compound Name4-phenyloxan-4-ol
PubChem CID2741305
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-phenyloxan-4-ol
SMILESOC1(c2ccccc2)CCOCC1
InChIInChI=1S/C11H14O2/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeySFZFKBASNCZZMV-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyloxan-4-ol?
The IUPAC name of 4-phenyloxan-4-ol (CID 2741305) is 4-phenyloxan-4-ol.
What is the SMILES notation for 4-phenyloxan-4-ol?
The canonical SMILES for 4-phenyloxan-4-ol is OC1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyloxan-4-ol?
The InChIKey is SFZFKBASNCZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of 4-phenyloxan-4-ol?
4-phenyloxan-4-ol has a molecular weight of 178.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyloxan-4-ol is sourced from PubChem (CID 2741305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).