(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one

C19H19NO — CID 71519294

IUPAC(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
SMILESCc1ccc2c([C@H](C)CC(=O)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C19H19NO/c1-13-8-9-16-17(12-20-18(16)10-13)14(2)11-19(21)15-6-4-3-5-7-15/h3-10,12,14,20H,11H2,1-2H3/t14-/m1/s1
InChIKeyUXZDPWFNWQPRKI-CQSZACIVSA-N
MW277.37 g/mol
LogP4.85
Rot. Bonds4

About (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one

(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one (PubChem CID 71519294) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
PubChem CID71519294
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
SMILESCc1ccc2c([C@H](C)CC(=O)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C19H19NO/c1-13-8-9-16-17(12-20-18(16)10-13)14(2)11-19(21)15-6-4-3-5-7-15/h3-10,12,14,20H,11H2,1-2H3/t14-/m1/s1
InChIKeyUXZDPWFNWQPRKI-CQSZACIVSA-N
XLogP4.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
(2R)-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 927890
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
4-(2,5-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
CID 13077495
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
CID 913288
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one?
The IUPAC name of (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one (CID 71519294) is (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one.
What is the SMILES notation for (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one?
The canonical SMILES for (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one is Cc1ccc2c([C@H](C)CC(=O)c3ccccc3)c[nH]c2c1.
What is the InChIKey of (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one?
The InChIKey is UXZDPWFNWQPRKI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-8-9-16-17(12-20-18(16)10-13)14(2)11-19(21)15-6-4-3-5-7-15/h3-10,12,14,20H,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one?
(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 71519294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).