2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine

C23H29NO2 — CID 57305017

IUPAC2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)oc12
InChIInChI=1S/C23H29NO2/c1-7-8-9-10-25-19-13-17(5)24-22-21(18(6)26-23(19)22)20-15(3)11-14(2)12-16(20)4/h11-13H,7-10H2,1-6H3
InChIKeyHNNFIENVJJEXLM-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.61
Rot. Bonds6

About 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine

2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine (PubChem CID 57305017) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
PubChem CID57305017
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
SMILESCCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)oc12
InChIInChI=1S/C23H29NO2/c1-7-8-9-10-25-19-13-17(5)24-22-21(18(6)26-23(19)22)20-15(3)11-14(2)12-16(20)4/h11-13H,7-10H2,1-6H3
InChIKeyHNNFIENVJJEXLM-UHFFFAOYSA-N
XLogP6.61
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one
CID 91530697
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
1,4-bis[(E)-2-[2,6-bis(2,4,6-trimethylphenyl)phenyl]ethenyl]-2,5-dihexoxybenzene
CID 101402314
15,30-dihexoxy-7,22-bis(2,4,6-trimethylphenyl)octacyclo[21.7.1.18,12.02,21.05,20.06,17.027,31.016,32]dotriaconta-1(30),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27(31),28-hexadecaene
CID 177422600
1,4-dimethyl-2-pentoxybenzene
CID 59184214
3,7-dimethyl-1,9-dioctoxydibenzothiophene
CID 58849537
2,3,7-trimethyl-8-octoxydibenzofuran
CID 59156344

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine (CID 57305017) is 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine is CCCCCOc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C)oc12.
What is the InChIKey of 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine?
The InChIKey is HNNFIENVJJEXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-7-8-9-10-25-19-13-17(5)24-22-21(18(6)26-23(19)22)20-15(3)11-14(2)12-16(20)4/h11-13H,7-10H2,1-6H3.
What are the key properties of 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine?
2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine has a molecular weight of 351.49 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 57305017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).