2-(oxan-4-yl)-1-phenylbutan-2-ol

C15H22O2 — CID 79008382

IUPAC2-(oxan-4-yl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C15H22O2/c1-2-15(16,14-8-10-17-11-9-14)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyRXNJNTIPMRJAJM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.80
Rot. Bonds4

About 2-(oxan-4-yl)-1-phenylbutan-2-ol

2-(oxan-4-yl)-1-phenylbutan-2-ol (PubChem CID 79008382) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-phenylbutan-2-ol
PubChem CID79008382
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(oxan-4-yl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C15H22O2/c1-2-15(16,14-8-10-17-11-9-14)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyRXNJNTIPMRJAJM-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(oxan-4-yl)-1-phenylbutan-2-ol (CID 79008382) is 2-(oxan-4-yl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(oxan-4-yl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(oxan-4-yl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-phenylbutan-2-ol?
The InChIKey is RXNJNTIPMRJAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-15(16,14-8-10-17-11-9-14)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3.
What are the key properties of 2-(oxan-4-yl)-1-phenylbutan-2-ol?
2-(oxan-4-yl)-1-phenylbutan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-phenylbutan-2-ol is sourced from PubChem (CID 79008382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).