4-(1-phenylpropyl)oxane

C14H20O — CID 155461106

IUPAC4-(1-phenylpropyl)oxane
SMILESCCC(c1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20O/c1-2-14(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13-14H,2,8-11H2,1H3
InChIKeyVGKBXNOJHVMYFH-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.61
Rot. Bonds3

About 4-(1-phenylpropyl)oxane

4-(1-phenylpropyl)oxane (PubChem CID 155461106) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(1-phenylpropyl)oxane.

Molecular Properties

Compound Name4-(1-phenylpropyl)oxane
PubChem CID155461106
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-(1-phenylpropyl)oxane
SMILESCCC(c1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20O/c1-2-14(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13-14H,2,8-11H2,1H3
InChIKeyVGKBXNOJHVMYFH-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
2-(1-phenylpropyl)-1,3-dioxolane
CID 14365156
1-(oxan-4-yl)-3-phenylbutan-1-ol
CID 63937274
3-(1-phenylethyl)oxolane
CID 150323599
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
3-methyl-4-(1-phenylpropyl)oxan-2-one
CID 139988641
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
2-(1-phenylpropyl)morpholine
CID 70531832
4-(1-phenylpropyl)pyrrolidin-2-one
CID 122156868
(4S)-4-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 124705684
4-(3-chloro-2-methyl-3-phenylpropyl)oxane
CID 104846457

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropyl)oxane?
The IUPAC name of 4-(1-phenylpropyl)oxane (CID 155461106) is 4-(1-phenylpropyl)oxane.
What is the SMILES notation for 4-(1-phenylpropyl)oxane?
The canonical SMILES for 4-(1-phenylpropyl)oxane is CCC(c1ccccc1)C1CCOCC1.
What is the InChIKey of 4-(1-phenylpropyl)oxane?
The InChIKey is VGKBXNOJHVMYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-14(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 4-(1-phenylpropyl)oxane?
4-(1-phenylpropyl)oxane has a molecular weight of 204.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropyl)oxane is sourced from PubChem (CID 155461106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).