5-(3-phenylmethoxypropyl)-2,3-dihydrofuran

C14H18O2 — CID 10398485

IUPAC5-(3-phenylmethoxypropyl)-2,3-dihydrofuran
SMILESC1=C(CCCOCc2ccccc2)OCC1
InChIInChI=1S/C14H18O2/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-3,6-7,9H,4-5,8,10-12H2
InChIKeyOWRLHFYBSMQNJG-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds6

About 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran

5-(3-phenylmethoxypropyl)-2,3-dihydrofuran (PubChem CID 10398485) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name5-(3-phenylmethoxypropyl)-2,3-dihydrofuran
PubChem CID10398485
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name5-(3-phenylmethoxypropyl)-2,3-dihydrofuran
SMILESC1=C(CCCOCc2ccccc2)OCC1
InChIInChI=1S/C14H18O2/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-3,6-7,9H,4-5,8,10-12H2
InChIKeyOWRLHFYBSMQNJG-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
1-iodo-3,5-bis(3-phenylmethoxypropyl)benzene
CID 10907222
butoxymethylbenzene;ethane
CID 145341806
3-(3-phenylmethoxypropanoyl)oxolan-2-one
CID 14808515
4-(3-phenylmethoxypropyl)-3H-pyrrole
CID 147648680
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
oxan-2-one;5-phenylmethoxypentanoic acid
CID 159909942
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
CID 11075746
lithium;butoxymethylbenzene;hydride
CID 175482454
15-bromopentadecoxymethylbenzene
CID 11338468

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran?
The IUPAC name of 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran (CID 10398485) is 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran.
What is the SMILES notation for 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran?
The canonical SMILES for 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran is C1=C(CCCOCc2ccccc2)OCC1.
What is the InChIKey of 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran?
The InChIKey is OWRLHFYBSMQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-3,6-7,9H,4-5,8,10-12H2.
What are the key properties of 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran?
5-(3-phenylmethoxypropyl)-2,3-dihydrofuran has a molecular weight of 218.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxypropyl)-2,3-dihydrofuran is sourced from PubChem (CID 10398485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).