1-(1-phenylethyl)-4-phenylmethoxyindole

C23H21NO — CID 84571178

IUPAC1-(1-phenylethyl)-4-phenylmethoxyindole
SMILESCC(c1ccccc1)n1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C23H21NO/c1-18(20-11-6-3-7-12-20)24-16-15-21-22(24)13-8-14-23(21)25-17-19-9-4-2-5-10-19/h2-16,18H,17H2,1H3
InChIKeyKYQOSJHKCFKAFW-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.83
Rot. Bonds5

About 1-(1-phenylethyl)-4-phenylmethoxyindole

1-(1-phenylethyl)-4-phenylmethoxyindole (PubChem CID 84571178) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-phenylmethoxyindole.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-phenylmethoxyindole
PubChem CID84571178
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-(1-phenylethyl)-4-phenylmethoxyindole
SMILESCC(c1ccccc1)n1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C23H21NO/c1-18(20-11-6-3-7-12-20)24-16-15-21-22(24)13-8-14-23(21)25-17-19-9-4-2-5-10-19/h2-16,18H,17H2,1H3
InChIKeyKYQOSJHKCFKAFW-UHFFFAOYSA-N
XLogP5.83
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-3-(methylamino)-1-phenyl-1-(4-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69456550
propyl 2-(4-phenylmethoxyindol-1-yl)propanoate
CID 84573134
CID 59096793
CID 59096793
1-ethyl-4-phenylmethoxyindole
CID 24776902
4-phenylmethoxyindole-1-sulfinate
CID 23517350
N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
CID 84573039
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556
CID 159201070
CID 159201070

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-phenylmethoxyindole?
The IUPAC name of 1-(1-phenylethyl)-4-phenylmethoxyindole (CID 84571178) is 1-(1-phenylethyl)-4-phenylmethoxyindole.
What is the SMILES notation for 1-(1-phenylethyl)-4-phenylmethoxyindole?
The canonical SMILES for 1-(1-phenylethyl)-4-phenylmethoxyindole is CC(c1ccccc1)n1ccc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1-(1-phenylethyl)-4-phenylmethoxyindole?
The InChIKey is KYQOSJHKCFKAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-18(20-11-6-3-7-12-20)24-16-15-21-22(24)13-8-14-23(21)25-17-19-9-4-2-5-10-19/h2-16,18H,17H2,1H3.
What are the key properties of 1-(1-phenylethyl)-4-phenylmethoxyindole?
1-(1-phenylethyl)-4-phenylmethoxyindole has a molecular weight of 327.43 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-phenylmethoxyindole is sourced from PubChem (CID 84571178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).