8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline

C18H21NO — CID 81224011

IUPAC8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCCCOc1ccc(-c2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21NO/c1-2-13-20-16-10-8-14(9-11-16)17-7-3-5-15-6-4-12-19-18(15)17/h3,5,7-11,19H,2,4,6,12-13H2,1H3
InChIKeyLGNMMDJBWVIHFQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.50
Rot. Bonds4

About 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline

8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224011) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224011
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCCCOc1ccc(-c2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21NO/c1-2-13-20-16-10-8-14(9-11-16)17-7-3-5-15-6-4-12-19-18(15)17/h3,5,7-11,19H,2,4,6,12-13H2,1H3
InChIKeyLGNMMDJBWVIHFQ-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 81224011) is 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline is CCCOc1ccc(-c2cccc3c2NCCC3)cc1.
What is the InChIKey of 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LGNMMDJBWVIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-13-20-16-10-8-14(9-11-16)17-7-3-5-15-6-4-12-19-18(15)17/h3,5,7-11,19H,2,4,6,12-13H2,1H3.
What are the key properties of 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline?
8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).