4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole

C16H12Cl2FNO — CID 103428306

IUPAC4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)cc1F
InChIInChI=1S/C16H12Cl2FNO/c1-21-16-3-2-10(6-14(16)19)9-20-5-4-12-13(18)7-11(17)8-15(12)20/h2-8H,9H2,1H3
InChIKeyQWPQEBFSRVEIOB-UHFFFAOYSA-N
MW324.18 g/mol
LogP5.14
Rot. Bonds3

About 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole

4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole (PubChem CID 103428306) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
PubChem CID103428306
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)cc1F
InChIInChI=1S/C16H12Cl2FNO/c1-21-16-3-2-10(6-14(16)19)9-20-5-4-12-13(18)7-11(17)8-15(12)20/h2-8H,9H2,1H3
InChIKeyQWPQEBFSRVEIOB-UHFFFAOYSA-N
XLogP5.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.18
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
4,6-dichloro-1-[(4-iodophenyl)methyl]indole
CID 103428355
1-[(3-fluoro-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107919109
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
CID 22256781
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
CID 103428267
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
4,6-dichloro-1-[(3-nitrophenyl)methyl]indole
CID 103428182
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dichloroindole
CID 103428250
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole?
The IUPAC name of 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole (CID 103428306) is 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole is COc1ccc(Cn2ccc3c(Cl)cc(Cl)cc32)cc1F.
What is the InChIKey of 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole?
The InChIKey is QWPQEBFSRVEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c1-21-16-3-2-10(6-14(16)19)9-20-5-4-12-13(18)7-11(17)8-15(12)20/h2-8H,9H2,1H3.
What are the key properties of 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole?
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole has a molecular weight of 324.18 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole is sourced from PubChem (CID 103428306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).