4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol

C17H21FO2 — CID 114723986

IUPAC4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C17H21FO2/c1-2-12-4-3-8-17(19,9-7-12)16-11-13-10-14(18)5-6-15(13)20-16/h5-6,10-12,19H,2-4,7-9H2,1H3
InChIKeyZHAQLBRTJQPDNR-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.75
Rot. Bonds2

About 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol

4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol (PubChem CID 114723986) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
PubChem CID114723986
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C17H21FO2/c1-2-12-4-3-8-17(19,9-7-12)16-11-13-10-14(18)5-6-15(13)20-16/h5-6,10-12,19H,2-4,7-9H2,1H3
InChIKeyZHAQLBRTJQPDNR-UHFFFAOYSA-N
XLogP4.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-fluoro-1-benzofuran-2-yl)-1-propan-2-ylazepan-4-ol
CID 114723969
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
CID 107128079
1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 114724210
4-ethyl-1-(4-fluoro-3-methylphenyl)cycloheptan-1-ol
CID 65086040
1-(5-chloro-1-benzofuran-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 114723992
1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723920
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 106874108
4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 65086189
4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
CID 65085535

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol (CID 114723986) is 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol is CCC1CCCC(O)(c2cc3cc(F)ccc3o2)CC1.
What is the InChIKey of 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol?
The InChIKey is ZHAQLBRTJQPDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c1-2-12-4-3-8-17(19,9-7-12)16-11-13-10-14(18)5-6-15(13)20-16/h5-6,10-12,19H,2-4,7-9H2,1H3.
What are the key properties of 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol?
4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol has a molecular weight of 276.35 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol is sourced from PubChem (CID 114723986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).