[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol

C17H15ClFNO — CID 82268703

IUPAC[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
SMILESCc1cccc2c(CO)c(Cl)n(Cc3ccc(F)cc3)c12
InChIInChI=1S/C17H15ClFNO/c1-11-3-2-4-14-15(10-21)17(18)20(16(11)14)9-12-5-7-13(19)8-6-12/h2-8,21H,9-10H2,1H3
InChIKeyJCRXBFFIVGZBPE-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.28
Rot. Bonds3

About [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol

[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol (PubChem CID 82268703) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol.

Molecular Properties

Compound Name[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
PubChem CID82268703
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
SMILESCc1cccc2c(CO)c(Cl)n(Cc3ccc(F)cc3)c12
InChIInChI=1S/C17H15ClFNO/c1-11-3-2-4-14-15(10-21)17(18)20(16(11)14)9-12-5-7-13(19)8-6-12/h2-8,21H,9-10H2,1H3
InChIKeyJCRXBFFIVGZBPE-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307
[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
CID 82268659
[2-chloro-5-fluoro-1-[(3-methylphenyl)methyl]indol-3-yl]methanol
CID 82268819
2-chloro-1-[(3-fluorophenyl)methyl]-7-methylindole-3-carbonitrile
CID 82268701
2-chloro-7-fluoro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
CID 82269315
(1-butyl-2,7-dichloroindol-3-yl)methanol
CID 82269358
7-fluoro-1-[(4-fluorophenyl)methyl]-3-methylindole-2-carboxylic acid
CID 83969461
1-[2-(4-fluorophenyl)-2-oxoethyl]-4,8-dimethylquinolin-2-one
CID 39768161
9-[(4-chlorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydrocarbazole
CID 56623019
2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
CID 158519534
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol?
The IUPAC name of [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol (CID 82268703) is [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol.
What is the SMILES notation for [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol?
The canonical SMILES for [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol is Cc1cccc2c(CO)c(Cl)n(Cc3ccc(F)cc3)c12.
What is the InChIKey of [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol?
The InChIKey is JCRXBFFIVGZBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-11-3-2-4-14-15(10-21)17(18)20(16(11)14)9-12-5-7-13(19)8-6-12/h2-8,21H,9-10H2,1H3.
What are the key properties of [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol?
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol has a molecular weight of 303.76 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol is sourced from PubChem (CID 82268703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).