7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol

C17H15ClFNO — CID 90845928

IUPAC7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol
SMILESCCc1ccc(Cn2cc3cc(F)cc(Cl)c3c2O)cc1
InChIInChI=1S/C17H15ClFNO/c1-2-11-3-5-12(6-4-11)9-20-10-13-7-14(19)8-15(18)16(13)17(20)21/h3-8,10,21H,2,9H2,1H3
InChIKeyQHXINZMVPCHDNL-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.75
Rot. Bonds3

About 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol

7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol (PubChem CID 90845928) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol
PubChem CID90845928
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol
SMILESCCc1ccc(Cn2cc3cc(F)cc(Cl)c3c2O)cc1
InChIInChI=1S/C17H15ClFNO/c1-2-11-3-5-12(6-4-11)9-20-10-13-7-14(19)8-15(18)16(13)17(20)21/h3-8,10,21H,2,9H2,1H3
InChIKeyQHXINZMVPCHDNL-UHFFFAOYSA-N
XLogP4.75
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
7-Chloro-2-[(4-fluorophenyl)methyl]-5-(piperidin-4-ylmethyl)isoindol-1-ol
CID 90700186
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
7-Chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
CID 90719863
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
2-[(4-Chlorophenyl)methyl]-6-fluoro-3-hydroxyisoindole-4-carbonitrile
CID 90740610
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
7-Chloro-2-[(4,4-difluorocyclohexyl)methyl]-1-hydroxyisoindole-5-carbonitrile
CID 90765142
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol?
The IUPAC name of 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol (CID 90845928) is 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol.
What is the SMILES notation for 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol?
The canonical SMILES for 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol is CCc1ccc(Cn2cc3cc(F)cc(Cl)c3c2O)cc1.
What is the InChIKey of 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol?
The InChIKey is QHXINZMVPCHDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-2-11-3-5-12(6-4-11)9-20-10-13-7-14(19)8-15(18)16(13)17(20)21/h3-8,10,21H,2,9H2,1H3.
What are the key properties of 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol?
7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol has a molecular weight of 303.76 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol is sourced from PubChem (CID 90845928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).