2-methyl-5-(1-phenylmethoxypentyl)furan

C17H22O2 — CID 10901311

IUPAC2-methyl-5-(1-phenylmethoxypentyl)furan
SMILESCCCCC(OCc1ccccc1)c1ccc(C)o1
InChIInChI=1S/C17H22O2/c1-3-4-10-16(17-12-11-14(2)19-17)18-13-15-8-6-5-7-9-15/h5-9,11-12,16H,3-4,10,13H2,1-2H3
InChIKeyWECJBBJRUUKQED-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.04
Rot. Bonds7

About 2-methyl-5-(1-phenylmethoxypentyl)furan

2-methyl-5-(1-phenylmethoxypentyl)furan (PubChem CID 10901311) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-methyl-5-(1-phenylmethoxypentyl)furan.

Molecular Properties

Compound Name2-methyl-5-(1-phenylmethoxypentyl)furan
PubChem CID10901311
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-methyl-5-(1-phenylmethoxypentyl)furan
SMILESCCCCC(OCc1ccccc1)c1ccc(C)o1
InChIInChI=1S/C17H22O2/c1-3-4-10-16(17-12-11-14(2)19-17)18-13-15-8-6-5-7-9-15/h5-9,11-12,16H,3-4,10,13H2,1-2H3
InChIKeyWECJBBJRUUKQED-UHFFFAOYSA-N
XLogP5.04
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-phenylmethoxypentyl)furan?
The IUPAC name of 2-methyl-5-(1-phenylmethoxypentyl)furan (CID 10901311) is 2-methyl-5-(1-phenylmethoxypentyl)furan.
What is the SMILES notation for 2-methyl-5-(1-phenylmethoxypentyl)furan?
The canonical SMILES for 2-methyl-5-(1-phenylmethoxypentyl)furan is CCCCC(OCc1ccccc1)c1ccc(C)o1.
What is the InChIKey of 2-methyl-5-(1-phenylmethoxypentyl)furan?
The InChIKey is WECJBBJRUUKQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-4-10-16(17-12-11-14(2)19-17)18-13-15-8-6-5-7-9-15/h5-9,11-12,16H,3-4,10,13H2,1-2H3.
What are the key properties of 2-methyl-5-(1-phenylmethoxypentyl)furan?
2-methyl-5-(1-phenylmethoxypentyl)furan has a molecular weight of 258.36 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-phenylmethoxypentyl)furan is sourced from PubChem (CID 10901311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).