ethane;1-(2-phenylethyl)-5-phenylmethoxyindole

C25H27NO — CID 145371075

IUPACethane;1-(2-phenylethyl)-5-phenylmethoxyindole
SMILESCC.c1ccc(CCn2ccc3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C23H21NO.C2H6/c1-3-7-19(8-4-1)13-15-24-16-14-21-17-22(11-12-23(21)24)25-18-20-9-5-2-6-10-20;1-2/h1-12,14,16-17H,13,15,18H2;1-2H3
InChIKeyJVNXRKTZCDKTGP-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.49
Rot. Bonds6

About ethane;1-(2-phenylethyl)-5-phenylmethoxyindole

ethane;1-(2-phenylethyl)-5-phenylmethoxyindole (PubChem CID 145371075) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is ethane;1-(2-phenylethyl)-5-phenylmethoxyindole.

Molecular Properties

Compound Nameethane;1-(2-phenylethyl)-5-phenylmethoxyindole
PubChem CID145371075
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Nameethane;1-(2-phenylethyl)-5-phenylmethoxyindole
SMILESCC.c1ccc(CCn2ccc3cc(OCc4ccccc4)ccc32)cc1
InChIInChI=1S/C23H21NO.C2H6/c1-3-7-19(8-4-1)13-15-24-16-14-21-17-22(11-12-23(21)24)25-18-20-9-5-2-6-10-20;1-2/h1-12,14,16-17H,13,15,18H2;1-2H3
InChIKeyJVNXRKTZCDKTGP-UHFFFAOYSA-N
XLogP6.49
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium
CID 10995751
1-(2-phenylethyl)indole
CID 12601752
1-ethyl-5-[(4-methylphenyl)methoxy]indole
CID 141116248
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
methanamine;1-(2-phenylethyl)indole
CID 144619116
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
CID 45495139
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-phenylethyl)-5-phenylmethoxyindole?
The IUPAC name of ethane;1-(2-phenylethyl)-5-phenylmethoxyindole (CID 145371075) is ethane;1-(2-phenylethyl)-5-phenylmethoxyindole.
What is the SMILES notation for ethane;1-(2-phenylethyl)-5-phenylmethoxyindole?
The canonical SMILES for ethane;1-(2-phenylethyl)-5-phenylmethoxyindole is CC.c1ccc(CCn2ccc3cc(OCc4ccccc4)ccc32)cc1.
What is the InChIKey of ethane;1-(2-phenylethyl)-5-phenylmethoxyindole?
The InChIKey is JVNXRKTZCDKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO.C2H6/c1-3-7-19(8-4-1)13-15-24-16-14-21-17-22(11-12-23(21)24)25-18-20-9-5-2-6-10-20;1-2/h1-12,14,16-17H,13,15,18H2;1-2H3.
What are the key properties of ethane;1-(2-phenylethyl)-5-phenylmethoxyindole?
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole has a molecular weight of 357.50 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-phenylethyl)-5-phenylmethoxyindole is sourced from PubChem (CID 145371075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).