2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C17H20FNO2 — CID 102877946

IUPAC2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOc1ccc(Cn2cc3c(c2)C(O)CCCC3)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-21-14-7-6-13(16(18)8-14)10-19-9-12-4-2-3-5-17(20)15(12)11-19/h6-9,11,17,20H,2-5,10H2,1H3
InChIKeyHRPMGJCMKVJIQJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.44
Rot. Bonds3

About 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 102877946) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID102877946
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOc1ccc(Cn2cc3c(c2)C(O)CCCC3)c(F)c1
InChIInChI=1S/C17H20FNO2/c1-21-14-7-6-13(16(18)8-14)10-19-9-12-4-2-3-5-17(20)15(12)11-19/h6-9,11,17,20H,2-5,10H2,1H3
InChIKeyHRPMGJCMKVJIQJ-UHFFFAOYSA-N
XLogP3.44
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83207956
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83211745
4-fluoro-2-[(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]benzonitrile
CID 107906614
2-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83210953
2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208249
2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208564
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208162
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 102880144
2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83210596
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208992
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83207848

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 102877946) is 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is COc1ccc(Cn2cc3c(c2)C(O)CCCC3)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is HRPMGJCMKVJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-21-14-7-6-13(16(18)8-14)10-19-9-12-4-2-3-5-17(20)15(12)11-19/h6-9,11,17,20H,2-5,10H2,1H3.
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 289.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 102877946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).