2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid

C15H22O4 — CID 107432327

IUPAC2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
SMILESCCCC1CCCC(O)(c2occc2C(=O)O)CC1
InChIInChI=1S/C15H22O4/c1-2-4-11-5-3-8-15(18,9-6-11)13-12(14(16)17)7-10-19-13/h7,10-11,18H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyYGQKVKHZKNNEOF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.55
Rot. Bonds4

About 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid

2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid (PubChem CID 107432327) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
PubChem CID107432327
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid
SMILESCCCC1CCCC(O)(c2occc2C(=O)O)CC1
InChIInChI=1S/C15H22O4/c1-2-4-11-5-3-8-15(18,9-6-11)13-12(14(16)17)7-10-19-13/h7,10-11,18H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyYGQKVKHZKNNEOF-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-1-hydroxycyclohexyl)furan-3-carboxylic acid
CID 107432446
2-(1-hydroxy-3-methylcyclopentyl)furan-3-carboxylic acid
CID 107432289
2-(4-hydroxyazepan-4-yl)furan-3-carboxylic acid
CID 107432569
2-(1-hydroxy-2-methylcyclobutyl)furan-3-carboxylic acid
CID 126981374
2-(1-hydroxy-3-propan-2-ylcyclobutyl)furan-3-carboxylic acid
CID 107432685
1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429867
2-(1-hydroxy-3,3,5-trimethylcyclohexyl)furan-3-carboxylic acid
CID 107431944
1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
CID 106651210
1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
CID 94812013

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid (CID 107432327) is 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid is CCCC1CCCC(O)(c2occc2C(=O)O)CC1.
What is the InChIKey of 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid?
The InChIKey is YGQKVKHZKNNEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-2-4-11-5-3-8-15(18,9-6-11)13-12(14(16)17)7-10-19-13/h7,10-11,18H,2-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid?
2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-propylcycloheptyl)furan-3-carboxylic acid is sourced from PubChem (CID 107432327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).