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

C14H16O2 — CID 105097163

IUPAC1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1ccoc1
InChIInChI=1S/C14H16O2/c1-11-4-2-3-5-12(11)6-7-14(15)13-8-9-16-10-13/h2-5,8-10,14-15H,6-7H2,1H3
InChIKeyQMEDSUCIJMNFAM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.25
Rot. Bonds4

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

1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 105097163) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
PubChem CID105097163
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1ccoc1
InChIInChI=1S/C14H16O2/c1-11-4-2-3-5-12(11)6-7-14(15)13-8-9-16-10-13/h2-5,8-10,14-15H,6-7H2,1H3
InChIKeyQMEDSUCIJMNFAM-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105146793
3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 105102698
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
1-(furan-3-yl)-3-pyridin-3-ylpropan-1-ol
CID 105097267
(1R)-3-chloro-1-(furan-3-yl)propan-1-ol
CID 55298538
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
1-(furan-3-yl)nonadecan-1-ol
CID 10712867
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
4,4,4-trifluoro-1-(furan-3-yl)butan-1-ol
CID 64567375
1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105098854
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol (CID 105097163) is 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CCC(O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is QMEDSUCIJMNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-11-4-2-3-5-12(11)6-7-14(15)13-8-9-16-10-13/h2-5,8-10,14-15H,6-7H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol?
1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 3.25, 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-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105097163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).