ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate

C23H25NO3 — CID 170073822

IUPACethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate
SMILESCCOC(=O)c1c(CO)n(C)c2cc(C3CCCc4ccccc43)ccc12
InChIInChI=1S/C23H25NO3/c1-3-27-23(26)22-19-12-11-16(13-20(19)24(2)21(22)14-25)18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-13,18,25H,3,6,8,10,14H2,1-2H3
InChIKeyPZFVAUMJIVUIJK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.32
Rot. Bonds4

About ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate

ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate (PubChem CID 170073822) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate
PubChem CID170073822
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Nameethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate
SMILESCCOC(=O)c1c(CO)n(C)c2cc(C3CCCc4ccccc43)ccc12
InChIInChI=1S/C23H25NO3/c1-3-27-23(26)22-19-12-11-16(13-20(19)24(2)21(22)14-25)18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-13,18,25H,3,6,8,10,14H2,1-2H3
InChIKeyPZFVAUMJIVUIJK-UHFFFAOYSA-N
XLogP4.32
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane
CID 142409210
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenol
CID 18930041
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 54031428
ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
CID 163883095
ethyl 2-(bromomethyl)-1-methyl-6-naphthalen-2-ylindole-3-carboxylate
CID 177268383
ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]pyrazole-4-carboxylate
CID 45221885
ethyl 2,2-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 71078532
ethyl 1-methyl-2-(methylaminomethyl)-5-phenylindole-3-carboxylate
CID 170077347
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate?
The IUPAC name of ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate (CID 170073822) is ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate?
The canonical SMILES for ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate is CCOC(=O)c1c(CO)n(C)c2cc(C3CCCc4ccccc43)ccc12.
What is the InChIKey of ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate?
The InChIKey is PZFVAUMJIVUIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-27-23(26)22-19-12-11-16(13-20(19)24(2)21(22)14-25)18-10-6-8-15-7-4-5-9-17(15)18/h4-5,7,9,11-13,18,25H,3,6,8,10,14H2,1-2H3.
What are the key properties of ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate?
ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxymethyl)-1-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yl)indole-3-carboxylate is sourced from PubChem (CID 170073822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).