methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate

C17H14FNO3 — CID 10827991

IUPACmethyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)ccc(F)c2[nH]1
InChIInChI=1S/C17H14FNO3/c1-21-17(20)14-9-12-15(8-7-13(18)16(12)19-14)22-10-11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKeyJHUCJJIZCMYIPH-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.67
Rot. Bonds4

About methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate

methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 10827991) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID10827991
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Namemethyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCc3ccccc3)ccc(F)c2[nH]1
InChIInChI=1S/C17H14FNO3/c1-21-17(20)14-9-12-15(8-7-13(18)16(12)19-14)22-10-11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKeyJHUCJJIZCMYIPH-UHFFFAOYSA-N
XLogP3.67
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bopindolol
CID 44112
4,7-Dimethoxy-1H-indole-2-carboxylic acid
CID 510118
Ethyl 5-methoxyindole-2-carboxylate
CID 20926
5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
ZK 91296
CID 123700
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
1-Methylethyl 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1H-indole-2-carboxylate
CID 193949
Bis(1H-2-indolyl)methanone deriv. 61
CID 5330556
3-(3-(Naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 25100119
5-phenoxy-1H-indole-2-carboxylic acid
CID 4270371
6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid
CID 260801
Ethyl 5-methoxy-3-methyl-1H-indole-2-carboxylate
CID 604590

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate (CID 10827991) is methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate is COC(=O)c1cc2c(OCc3ccccc3)ccc(F)c2[nH]1.
What is the InChIKey of methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is JHUCJJIZCMYIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-21-17(20)14-9-12-15(8-7-13(18)16(12)19-14)22-10-11-5-3-2-4-6-11/h2-9,19H,10H2,1H3.
What are the key properties of methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate?
methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 299.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 10827991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).