1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol

C14H16O2 — CID 62633648

IUPAC1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2cccc(C)c2)o1
InChIInChI=1S/C14H16O2/c1-3-12(15)14-8-7-13(16-14)11-6-4-5-10(2)9-11/h4-9,12,15H,3H2,1-2H3
InChIKeyQJKKCVKFFBPXQR-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.70
Rot. Bonds3

About 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol

1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol (PubChem CID 62633648) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
PubChem CID62633648
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2cccc(C)c2)o1
InChIInChI=1S/C14H16O2/c1-3-12(15)14-8-7-13(16-14)11-6-4-5-10(2)9-11/h4-9,12,15H,3H2,1-2H3
InChIKeyQJKKCVKFFBPXQR-UHFFFAOYSA-N
XLogP3.70
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol (CID 62633648) is 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol is CCC(O)c1ccc(-c2cccc(C)c2)o1.
What is the InChIKey of 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol?
The InChIKey is QJKKCVKFFBPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-12(15)14-8-7-13(16-14)11-6-4-5-10(2)9-11/h4-9,12,15H,3H2,1-2H3.
What are the key properties of 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol?
1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol is sourced from PubChem (CID 62633648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).