1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol

C15H18O2 — CID 63085302

IUPAC1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol
SMILESCc1cccc(-c2ccc(CC(C)O)o2)c1C
InChIInChI=1S/C15H18O2/c1-10-5-4-6-14(12(10)3)15-8-7-13(17-15)9-11(2)16/h4-8,11,16H,9H2,1-3H3
InChIKeyQVWXOVUHMJWPCC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.49
Rot. Bonds3

About 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol

1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol (PubChem CID 63085302) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol
PubChem CID63085302
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol
SMILESCc1cccc(-c2ccc(CC(C)O)o2)c1C
InChIInChI=1S/C15H18O2/c1-10-5-4-6-14(12(10)3)15-8-7-13(17-15)9-11(2)16/h4-8,11,16H,9H2,1-3H3
InChIKeyQVWXOVUHMJWPCC-UHFFFAOYSA-N
XLogP3.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084095
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
1-[5-(2-propylphenyl)furan-2-yl]propan-2-ol
CID 55180932
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
CID 104725052
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
CID 107607605
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol
CID 55180164
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
(1S,2R)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636969
(1S,2S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636962

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol (CID 63085302) is 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol is Cc1cccc(-c2ccc(CC(C)O)o2)c1C.
What is the InChIKey of 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol?
The InChIKey is QVWXOVUHMJWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-5-4-6-14(12(10)3)15-8-7-13(17-15)9-11(2)16/h4-8,11,16H,9H2,1-3H3.
What are the key properties of 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol?
1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 63085302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).