(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone

C27H27NO3 — CID 142084550

IUPAC(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(OCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H27NO3/c1-4-21-6-5-7-26-25(21)18-19(2)28(26)27(29)22-10-14-24(15-11-22)31-17-16-20-8-12-23(30-3)13-9-20/h5-15,18H,4,16-17H2,1-3H3
InChIKeyMATTVUHSGJDNRT-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.83
Rot. Bonds7

About (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone

(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone (PubChem CID 142084550) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone
PubChem CID142084550
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(OCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H27NO3/c1-4-21-6-5-7-26-25(21)18-19(2)28(26)27(29)22-10-14-24(15-11-22)31-17-16-20-8-12-23(30-3)13-9-20/h5-15,18H,4,16-17H2,1-3H3
InChIKeyMATTVUHSGJDNRT-UHFFFAOYSA-N
XLogP5.83
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone
CID 142084528
(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
CID 142084471
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
2-[2-methyl-1-[4-(3-methylbutoxy)benzoyl]indol-4-yl]oxyacetic acid
CID 20729600
2-[1-[4-[[(2S)-7-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10278649
[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methoxy]phenyl]-[4-(2-hydroxyethyl)-2-methylindol-1-yl]methanone
CID 10113326
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
N-methyl-N-[2-[4-(2-methylindole-1-carbonyl)phenoxy]ethyl]benzamide
CID 141042895
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
2-[1-[4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 10297072
2-[1-[4-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
CID 22939064

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone?
The IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone (CID 142084550) is (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone.
What is the SMILES notation for (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone?
The canonical SMILES for (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone is CCc1cccc2c1cc(C)n2C(=O)c1ccc(OCCc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone?
The InChIKey is MATTVUHSGJDNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-4-21-6-5-7-26-25(21)18-19(2)28(26)27(29)22-10-14-24(15-11-22)31-17-16-20-8-12-23(30-3)13-9-20/h5-15,18H,4,16-17H2,1-3H3.
What are the key properties of (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone?
(4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone has a molecular weight of 413.52 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylindol-1-yl)-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanone is sourced from PubChem (CID 142084550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).