methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate

C17H14ClNO3 — CID 142664195

IUPACmethyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(Cl)cc2c1OCc1ccccc1
InChIInChI=1S/C17H14ClNO3/c1-21-17(20)15-16(22-10-11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-15/h2-9,19H,10H2,1H3
InChIKeyZXMXWEBGDHMALV-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.19
Rot. Bonds4

About methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate

methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 142664195) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID142664195
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Namemethyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(Cl)cc2c1OCc1ccccc1
InChIInChI=1S/C17H14ClNO3/c1-21-17(20)15-16(22-10-11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-15/h2-9,19H,10H2,1H3
InChIKeyZXMXWEBGDHMALV-UHFFFAOYSA-N
XLogP4.19
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 10903684
5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230568
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
methyl 3-benzyl-5-cyano-1H-indole-2-carboxylate
CID 135069630
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705
methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
CID 72545836
5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 162409385
(7-chloro-4-phenylmethoxy-2,3-dipropoxynaphthalen-1-yl) 4-ethylbenzoate
CID 23038601
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate (CID 142664195) is methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(Cl)cc2c1OCc1ccccc1.
What is the InChIKey of methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is ZXMXWEBGDHMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-17(20)15-16(22-10-11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-15/h2-9,19H,10H2,1H3.
What are the key properties of methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate?
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 315.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 142664195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).