3-[4-(oxan-4-yl)phenyl]propan-1-ol

C14H20O2 — CID 117314572

IUPAC3-[4-(oxan-4-yl)phenyl]propan-1-ol
SMILESOCCCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C14H20O2/c15-9-1-2-12-3-5-13(6-4-12)14-7-10-16-11-8-14/h3-6,14-15H,1-2,7-11H2
InChIKeySAMWRDCUDIOVQL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.51
Rot. Bonds4

About 3-[4-(oxan-4-yl)phenyl]propan-1-ol

3-[4-(oxan-4-yl)phenyl]propan-1-ol (PubChem CID 117314572) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-[4-(oxan-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(oxan-4-yl)phenyl]propan-1-ol
PubChem CID117314572
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-[4-(oxan-4-yl)phenyl]propan-1-ol
SMILESOCCCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C14H20O2/c15-9-1-2-12-3-5-13(6-4-12)14-7-10-16-11-8-14/h3-6,14-15H,1-2,7-11H2
InChIKeySAMWRDCUDIOVQL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)propan-1-ol;oxolane
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3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
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CID 117405519
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CID 117365842
4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane
CID 158591011
4-(4-cyclopentylphenyl)butan-1-amine
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[4-(oxolan-3-yl)phenyl]methanamine
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1-(4-fluorocyclohexyl)-4-heptylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-4-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(oxan-4-yl)phenyl]propan-1-ol (CID 117314572) is 3-[4-(oxan-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(oxan-4-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(oxan-4-yl)phenyl]propan-1-ol is OCCCc1ccc(C2CCOCC2)cc1.
What is the InChIKey of 3-[4-(oxan-4-yl)phenyl]propan-1-ol?
The InChIKey is SAMWRDCUDIOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-9-1-2-12-3-5-13(6-4-12)14-7-10-16-11-8-14/h3-6,14-15H,1-2,7-11H2.
What are the key properties of 3-[4-(oxan-4-yl)phenyl]propan-1-ol?
3-[4-(oxan-4-yl)phenyl]propan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117314572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).