1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol

C14H16O2 — CID 83171853

IUPAC1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccoc2)cc1
InChIInChI=1S/C14H16O2/c1-11-2-4-12(5-3-11)8-14(15)9-13-6-7-16-10-13/h2-7,10,14-15H,8-9H2,1H3
InChIKeyLIMFJNKNBLQWAB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.73
Rot. Bonds4

About 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol

1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol (PubChem CID 83171853) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
PubChem CID83171853
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccoc2)cc1
InChIInChI=1S/C14H16O2/c1-11-2-4-12(5-3-11)8-14(15)9-13-6-7-16-10-13/h2-7,10,14-15H,8-9H2,1H3
InChIKeyLIMFJNKNBLQWAB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]furan
CID 83183227
1-(furan-3-yl)butan-2-ol
CID 83171486
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83183089
2-(furan-3-ylmethyl)-3-(4-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 83178421
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
CID 83174968
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol (CID 83171853) is 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is LIMFJNKNBLQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11-2-4-12(5-3-11)8-14(15)9-13-6-7-16-10-13/h2-7,10,14-15H,8-9H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol?
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 83171853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).