1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol

C16H20O2 — CID 115791080

IUPAC1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
SMILESCc1cc(C(O)CCCc2ccccc2)c(C)o1
InChIInChI=1S/C16H20O2/c1-12-11-15(13(2)18-12)16(17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,16-17H,6,9-10H2,1-2H3
InChIKeyZFAPOQNMLKZAHG-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.95
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol

1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol (PubChem CID 115791080) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
PubChem CID115791080
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
SMILESCc1cc(C(O)CCCc2ccccc2)c(C)o1
InChIInChI=1S/C16H20O2/c1-12-11-15(13(2)18-12)16(17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,16-17H,6,9-10H2,1-2H3
InChIKeyZFAPOQNMLKZAHG-UHFFFAOYSA-N
XLogP3.95
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
1-(2,5-dimethylfuran-3-yl)-4-methylpent-4-en-1-ol
CID 115834380
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
CID 107502681
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol (CID 115791080) is 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol is Cc1cc(C(O)CCCc2ccccc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol?
The InChIKey is ZFAPOQNMLKZAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12-11-15(13(2)18-12)16(17)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11,16-17H,6,9-10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol?
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 115791080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).