1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol

C16H20O2 — CID 62633645

IUPAC1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccccc2C(C)C)o1
InChIInChI=1S/C16H20O2/c1-4-14(17)16-10-9-15(18-16)13-8-6-5-7-12(13)11(2)3/h5-11,14,17H,4H2,1-3H3
InChIKeyWIJWCTVLQXKDEL-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.51
Rot. Bonds4

About 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol

1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol (PubChem CID 62633645) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol
PubChem CID62633645
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccccc2C(C)C)o1
InChIInChI=1S/C16H20O2/c1-4-14(17)16-10-9-15(18-16)13-8-6-5-7-12(13)11(2)3/h5-11,14,17H,4H2,1-3H3
InChIKeyWIJWCTVLQXKDEL-UHFFFAOYSA-N
XLogP4.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol (CID 62633645) is 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol is CCC(O)c1ccc(-c2ccccc2C(C)C)o1.
What is the InChIKey of 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol?
The InChIKey is WIJWCTVLQXKDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-14(17)16-10-9-15(18-16)13-8-6-5-7-12(13)11(2)3/h5-11,14,17H,4H2,1-3H3.
What are the key properties of 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol?
1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-propan-2-ylphenyl)furan-2-yl]propan-1-ol is sourced from PubChem (CID 62633645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).