4-butoxy-5-methoxy-2-phenyl-1H-indole

C19H21NO2 — CID 71126141

IUPAC4-butoxy-5-methoxy-2-phenyl-1H-indole
SMILESCCCCOc1c(OC)ccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C19H21NO2/c1-3-4-12-22-19-15-13-17(14-8-6-5-7-9-14)20-16(15)10-11-18(19)21-2/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyLSLKPJYUXIILMT-UHFFFAOYSA-N
MW295.38 g/mol
LogP5.02
Rot. Bonds6

About 4-butoxy-5-methoxy-2-phenyl-1H-indole

4-butoxy-5-methoxy-2-phenyl-1H-indole (PubChem CID 71126141) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-butoxy-5-methoxy-2-phenyl-1H-indole.

Molecular Properties

Compound Name4-butoxy-5-methoxy-2-phenyl-1H-indole
PubChem CID71126141
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-butoxy-5-methoxy-2-phenyl-1H-indole
SMILESCCCCOc1c(OC)ccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C19H21NO2/c1-3-4-12-22-19-15-13-17(14-8-6-5-7-9-14)20-16(15)10-11-18(19)21-2/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyLSLKPJYUXIILMT-UHFFFAOYSA-N
XLogP5.02
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
2-(4-ethoxyphenyl)-4-hexoxy-1H-indole
CID 154367795
5,6-dimethoxy-2-phenyl-1H-indole
CID 4066504
7,8-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 11300504
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
1,4-dibutoxynaphthalene
CID 22016411
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
2,7-bis(4-octoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781822
6-methoxy-5-phenylmethoxy-2-pyridin-3-yl-1H-quinolin-4-one
CID 15675346
2-[5-butoxy-2-(3-fluoro-4-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4587028
2-butoxy-5-phenylaniline
CID 54853554

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-methoxy-2-phenyl-1H-indole?
The IUPAC name of 4-butoxy-5-methoxy-2-phenyl-1H-indole (CID 71126141) is 4-butoxy-5-methoxy-2-phenyl-1H-indole.
What is the SMILES notation for 4-butoxy-5-methoxy-2-phenyl-1H-indole?
The canonical SMILES for 4-butoxy-5-methoxy-2-phenyl-1H-indole is CCCCOc1c(OC)ccc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 4-butoxy-5-methoxy-2-phenyl-1H-indole?
The InChIKey is LSLKPJYUXIILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-4-12-22-19-15-13-17(14-8-6-5-7-9-14)20-16(15)10-11-18(19)21-2/h5-11,13,20H,3-4,12H2,1-2H3.
What are the key properties of 4-butoxy-5-methoxy-2-phenyl-1H-indole?
4-butoxy-5-methoxy-2-phenyl-1H-indole has a molecular weight of 295.38 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-methoxy-2-phenyl-1H-indole is sourced from PubChem (CID 71126141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).