1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol

C16H20O2 — CID 55149157

IUPAC1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
SMILESCc1ccc(CC(O)CCc2ccco2)cc1C
InChIInChI=1S/C16H20O2/c1-12-5-6-14(10-13(12)2)11-15(17)7-8-16-4-3-9-18-16/h3-6,9-10,15,17H,7-8,11H2,1-2H3
InChIKeyNYHUZDZOKMIPSM-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.43
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol

1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol (PubChem CID 55149157) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
PubChem CID55149157
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
SMILESCc1ccc(CC(O)CCc2ccco2)cc1C
InChIInChI=1S/C16H20O2/c1-12-5-6-14(10-13(12)2)11-15(17)7-8-16-4-3-9-18-16/h3-6,9-10,15,17H,7-8,11H2,1-2H3
InChIKeyNYHUZDZOKMIPSM-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
CID 105082155
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105090556
[1-(3,4-dimethylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105300181
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
1-(furan-2-yl)hept-6-yn-3-ol
CID 105098567
4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094003
[2-(3,4-dimethylphenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213578

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol (CID 55149157) is 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol is Cc1ccc(CC(O)CCc2ccco2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol?
The InChIKey is NYHUZDZOKMIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12-5-6-14(10-13(12)2)11-15(17)7-8-16-4-3-9-18-16/h3-6,9-10,15,17H,7-8,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol?
1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol has a molecular weight of 244.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 55149157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).