2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid

C28H23NO3 — CID 18373351

IUPAC2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2cc(OCc3ccccc3)ccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C28H23NO3/c1-19-27(28(30)31)25-16-24(32-18-20-7-3-2-4-8-20)13-14-26(25)29(19)17-21-11-12-22-9-5-6-10-23(22)15-21/h2-16H,17-18H2,1H3,(H,30,31)
InChIKeyHBOXHSCBJXSCBR-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.43
Rot. Bonds6

About 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid

2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid (PubChem CID 18373351) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
PubChem CID18373351
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2cc(OCc3ccccc3)ccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C28H23NO3/c1-19-27(28(30)31)25-16-24(32-18-20-7-3-2-4-8-20)13-14-26(25)29(19)17-21-11-12-22-9-5-6-10-23(22)15-21/h2-16H,17-18H2,1H3,(H,30,31)
InChIKeyHBOXHSCBJXSCBR-UHFFFAOYSA-N
XLogP6.43
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(2-chloroethoxy)-2-methylindole-3-carboxylic acid
CID 22311809
3-[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoic acid
CID 70032868
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carbohydrazide
CID 91690132
ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid (CID 18373351) is 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid is Cc1c(C(=O)O)c2cc(OCc3ccccc3)ccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid?
The InChIKey is HBOXHSCBJXSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c1-19-27(28(30)31)25-16-24(32-18-20-7-3-2-4-8-20)13-14-26(25)29(19)17-21-11-12-22-9-5-6-10-23(22)15-21/h2-16H,17-18H2,1H3,(H,30,31).
What are the key properties of 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid?
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid is sourced from PubChem (CID 18373351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).