2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid

C24H28O2 — CID 54420564

IUPAC2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid
SMILESCc1cccc2c1C(C)C(C)C(C)C2CC=Cc1ccccc1C(=O)O
InChIInChI=1S/C24H28O2/c1-15-9-7-14-22-20(17(3)16(2)18(4)23(15)22)13-8-11-19-10-5-6-12-21(19)24(25)26/h5-12,14,16-18,20H,13H2,1-4H3,(H,25,26)
InChIKeyWAMYHNNXDGVZDC-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.27
Rot. Bonds4

About 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid

2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid (PubChem CID 54420564) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid
PubChem CID54420564
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid
SMILESCc1cccc2c1C(C)C(C)C(C)C2CC=Cc1ccccc1C(=O)O
InChIInChI=1S/C24H28O2/c1-15-9-7-14-22-20(17(3)16(2)18(4)23(15)22)13-8-11-19-10-5-6-12-21(19)24(25)26/h5-12,14,16-18,20H,13H2,1-4H3,(H,25,26)
InChIKeyWAMYHNNXDGVZDC-UHFFFAOYSA-N
XLogP6.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid (CID 54420564) is 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid is Cc1cccc2c1C(C)C(C)C(C)C2CC=Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
The InChIKey is WAMYHNNXDGVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-15-9-7-14-22-20(17(3)16(2)18(4)23(15)22)13-8-11-19-10-5-6-12-21(19)24(25)26/h5-12,14,16-18,20H,13H2,1-4H3,(H,25,26).
What are the key properties of 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid has a molecular weight of 348.49 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4,5-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 54420564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).