2-(oxolan-3-yl)-1-phenylbutan-2-ol

C14H20O2 — CID 79007844

IUPAC2-(oxolan-3-yl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1CCOC1
InChIInChI=1S/C14H20O2/c1-2-14(15,13-8-9-16-11-13)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyRCZSPYOUCDWHHQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.41
Rot. Bonds4

About 2-(oxolan-3-yl)-1-phenylbutan-2-ol

2-(oxolan-3-yl)-1-phenylbutan-2-ol (PubChem CID 79007844) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1-phenylbutan-2-ol
PubChem CID79007844
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(oxolan-3-yl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)C1CCOC1
InChIInChI=1S/C14H20O2/c1-2-14(15,13-8-9-16-11-13)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyRCZSPYOUCDWHHQ-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(oxolan-3-yl)-1-phenylbutan-2-ol (CID 79007844) is 2-(oxolan-3-yl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(oxolan-3-yl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(oxolan-3-yl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-1-phenylbutan-2-ol?
The InChIKey is RCZSPYOUCDWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-14(15,13-8-9-16-11-13)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3.
What are the key properties of 2-(oxolan-3-yl)-1-phenylbutan-2-ol?
2-(oxolan-3-yl)-1-phenylbutan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1-phenylbutan-2-ol is sourced from PubChem (CID 79007844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).