1-(oxan-4-yl)-3-phenylbutan-1-ol

C15H22O2 — CID 63937274

IUPAC1-(oxan-4-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(13-5-3-2-4-6-13)11-15(16)14-7-9-17-10-8-14/h2-6,12,14-16H,7-11H2,1H3
InChIKeySLNFDZTTXWMPCA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds4

About 1-(oxan-4-yl)-3-phenylbutan-1-ol

1-(oxan-4-yl)-3-phenylbutan-1-ol (PubChem CID 63937274) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-phenylbutan-1-ol
PubChem CID63937274
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(oxan-4-yl)-3-phenylbutan-1-ol
SMILESCC(CC(O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H22O2/c1-12(13-5-3-2-4-6-13)11-15(16)14-7-9-17-10-8-14/h2-6,12,14-16H,7-11H2,1H3
InChIKeySLNFDZTTXWMPCA-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
4-(1-phenylpropyl)oxane
CID 155461106
1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
3-phenylbutane-1,1-diol
CID 18417931
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
3-(1-phenylethyl)oxolane
CID 150323599
2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
CID 116756910
4-cyclohexylpentan-2-ylbenzene;ethane;methanol
CID 90992156
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(oxan-4-yl)-3-phenylbutan-1-ol (CID 63937274) is 1-(oxan-4-yl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(oxan-4-yl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(oxan-4-yl)-3-phenylbutan-1-ol is CC(CC(O)C1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(oxan-4-yl)-3-phenylbutan-1-ol?
The InChIKey is SLNFDZTTXWMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(13-5-3-2-4-6-13)11-15(16)14-7-9-17-10-8-14/h2-6,12,14-16H,7-11H2,1H3.
What are the key properties of 1-(oxan-4-yl)-3-phenylbutan-1-ol?
1-(oxan-4-yl)-3-phenylbutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-phenylbutan-1-ol is sourced from PubChem (CID 63937274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).