3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol

C14H16O2 — CID 170887659

IUPAC3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol
SMILESCc1ccc(-c2cccc(CCCO)c2)o1
InChIInChI=1S/C14H16O2/c1-11-7-8-14(16-11)13-6-2-4-12(10-13)5-3-9-15/h2,4,6-8,10,15H,3,5,9H2,1H3
InChIKeyUTEWLBGVASUWCU-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.18
Rot. Bonds4

About 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol

3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol (PubChem CID 170887659) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol
PubChem CID170887659
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol
SMILESCc1ccc(-c2cccc(CCCO)c2)o1
InChIInChI=1S/C14H16O2/c1-11-7-8-14(16-11)13-6-2-4-12(10-13)5-3-9-15/h2,4,6-8,10,15H,3,5,9H2,1H3
InChIKeyUTEWLBGVASUWCU-UHFFFAOYSA-N
XLogP3.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol (CID 170887659) is 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol is Cc1ccc(-c2cccc(CCCO)c2)o1.
What is the InChIKey of 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol?
The InChIKey is UTEWLBGVASUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11-7-8-14(16-11)13-6-2-4-12(10-13)5-3-9-15/h2,4,6-8,10,15H,3,5,9H2,1H3.
What are the key properties of 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol?
3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 170887659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).