1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol

C24H31NO3 — CID 155238613

IUPAC1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol
SMILESCCCCCn1c(-c2ccc(OCC(O)COC)cc2C)cc2ccccc21
InChIInChI=1S/C24H31NO3/c1-4-5-8-13-25-23-10-7-6-9-19(23)15-24(25)22-12-11-21(14-18(22)2)28-17-20(26)16-27-3/h6-7,9-12,14-15,20,26H,4-5,8,13,16-17H2,1-3H3
InChIKeyRCHYKSSAMKCSMP-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.19
Rot. Bonds10

About 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol

1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol (PubChem CID 155238613) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol
PubChem CID155238613
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol
SMILESCCCCCn1c(-c2ccc(OCC(O)COC)cc2C)cc2ccccc21
InChIInChI=1S/C24H31NO3/c1-4-5-8-13-25-23-10-7-6-9-19(23)15-24(25)22-12-11-21(14-18(22)2)28-17-20(26)16-27-3/h6-7,9-12,14-15,20,26H,4-5,8,13,16-17H2,1-3H3
InChIKeyRCHYKSSAMKCSMP-UHFFFAOYSA-N
XLogP5.19
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[4-(1-pentylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
CID 135308425
1-pentyl-2-phenylindole
CID 54214068
(2R)-1-(3-hexyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 28821718
2-methyl-1-tetradecylindole
CID 19869962
ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
CID 91084100
1-(2-amino-3-pentylbenzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol chloride
CID 44662233
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592
(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 28593377
2-[2,6-bis(2,4-dimethylphenyl)pyrimidin-4-yl]-5-(2-hydroxy-3-tridecoxypropoxy)phenol
CID 137257294
[2-hydroxy-3-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxypropyl] 2-methylprop-2-enoate
CID 154601517
bis(2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-butoxy-2-hydroxypropoxy)phenol);methane
CID 160511620
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol (CID 155238613) is 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol is CCCCCn1c(-c2ccc(OCC(O)COC)cc2C)cc2ccccc21.
What is the InChIKey of 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol?
The InChIKey is RCHYKSSAMKCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-4-5-8-13-25-23-10-7-6-9-19(23)15-24(25)22-12-11-21(14-18(22)2)28-17-20(26)16-27-3/h6-7,9-12,14-15,20,26H,4-5,8,13,16-17H2,1-3H3.
What are the key properties of 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol?
1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol has a molecular weight of 381.52 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-methyl-4-(1-pentylindol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 155238613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).