furan-2-ylmethanol;1,2,3-trimethylbenzene

C14H18O2 — CID 175370642

IUPACfuran-2-ylmethanol;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.OCc1ccco1
InChIInChI=1S/C9H12.C5H6O2/c1-7-5-4-6-8(2)9(7)3;6-4-5-2-1-3-7-5/h4-6H,1-3H3;1-3,6H,4H2
InChIKeyLEWPJPAHQRMDEX-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.38
Rot. Bonds1

About furan-2-ylmethanol;1,2,3-trimethylbenzene

furan-2-ylmethanol;1,2,3-trimethylbenzene (PubChem CID 175370642) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is furan-2-ylmethanol;1,2,3-trimethylbenzene.

Molecular Properties

Compound Namefuran-2-ylmethanol;1,2,3-trimethylbenzene
PubChem CID175370642
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namefuran-2-ylmethanol;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.OCc1ccco1
InChIInChI=1S/C9H12.C5H6O2/c1-7-5-4-6-8(2)9(7)3;6-4-5-2-1-3-7-5/h4-6H,1-3H3;1-3,6H,4H2
InChIKeyLEWPJPAHQRMDEX-UHFFFAOYSA-N
XLogP3.38
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-ylmethanol;2-methylfuran
CID 174421035
dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)
CID 20687675
furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274
furan-2-ylmethanol;2-propan-2-ylsulfanylpropane
CID 174913675
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
furan-2-ylmethanol;4-oxopentanoic acid
CID 174653424
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254949
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanol;1,2,3-trimethylbenzene?
The IUPAC name of furan-2-ylmethanol;1,2,3-trimethylbenzene (CID 175370642) is furan-2-ylmethanol;1,2,3-trimethylbenzene.
What is the SMILES notation for furan-2-ylmethanol;1,2,3-trimethylbenzene?
The canonical SMILES for furan-2-ylmethanol;1,2,3-trimethylbenzene is Cc1cccc(C)c1C.OCc1ccco1.
What is the InChIKey of furan-2-ylmethanol;1,2,3-trimethylbenzene?
The InChIKey is LEWPJPAHQRMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H6O2/c1-7-5-4-6-8(2)9(7)3;6-4-5-2-1-3-7-5/h4-6H,1-3H3;1-3,6H,4H2.
What are the key properties of furan-2-ylmethanol;1,2,3-trimethylbenzene?
furan-2-ylmethanol;1,2,3-trimethylbenzene has a molecular weight of 218.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanol;1,2,3-trimethylbenzene is sourced from PubChem (CID 175370642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).