2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol

C18H18FNO — CID 91125397

IUPAC2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
SMILESCCc1ccc(Cn2cc3cc(F)cc(C)c3c2O)cc1
InChIInChI=1S/C18H18FNO/c1-3-13-4-6-14(7-5-13)10-20-11-15-9-16(19)8-12(2)17(15)18(20)21/h4-9,11,21H,3,10H2,1-2H3
InChIKeyAZTNPQLQKQOVNR-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.41
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol

2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol (PubChem CID 91125397) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
PubChem CID91125397
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
SMILESCCc1ccc(Cn2cc3cc(F)cc(C)c3c2O)cc1
InChIInChI=1S/C18H18FNO/c1-3-13-4-6-14(7-5-13)10-20-11-15-9-16(19)8-12(2)17(15)18(20)21/h4-9,11,21H,3,10H2,1-2H3
InChIKeyAZTNPQLQKQOVNR-UHFFFAOYSA-N
XLogP4.41
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methyl-1H-pyrrol-2-ylmethyl)-naphthalen-1-ol
CID 15617856
(E)-3-[1,3-dihydroxy-2-[(4-methylphenyl)methyl]isoindol-5-yl]-N-oxoprop-2-enamide
CID 135906532
2-Methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-4,9-dihydrobenzo[f]isoindole-1,3-diol
CID 54064308
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
3-[2-(Dimethylamino)ethyl]-7-fluoro-1-(naphthalen-2-ylmethyl)indol-4-ol
CID 58304001
4-(6-Ethyl-4-methylindol-1-yl)-2-fluorophenol
CID 68199547
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
2-Fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
CID 70986827
[1-[(3-Fluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133030
(1-Benzyl-3-fluoro-7-methylindol-6-yl)methanol
CID 90133255
[1-[(4-Fluorophenyl)methyl]-7-methylindol-6-yl]methanol
CID 90133315

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol (CID 91125397) is 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol is CCc1ccc(Cn2cc3cc(F)cc(C)c3c2O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
The InChIKey is AZTNPQLQKQOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-13-4-6-14(7-5-13)10-20-11-15-9-16(19)8-12(2)17(15)18(20)21/h4-9,11,21H,3,10H2,1-2H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol has a molecular weight of 283.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-5-fluoro-7-methylisoindol-1-ol is sourced from PubChem (CID 91125397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).