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

C24H28O2 — CID 66615122

IUPAC2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid
SMILESCC=C(c1ccccc1C(=O)O)C1(C)c2ccccc2CC(C)C1(C)C
InChIInChI=1S/C24H28O2/c1-6-20(18-12-8-9-13-19(18)22(25)26)24(5)21-14-10-7-11-17(21)15-16(2)23(24,3)4/h6-14,16H,15H2,1-5H3,(H,25,26)
InChIKeyALTUEMOVMCXCMP-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.96
Rot. Bonds3

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

2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid (PubChem CID 66615122) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid
PubChem CID66615122
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid
SMILESCC=C(c1ccccc1C(=O)O)C1(C)c2ccccc2CC(C)C1(C)C
InChIInChI=1S/C24H28O2/c1-6-20(18-12-8-9-13-19(18)22(25)26)24(5)21-14-10-7-11-17(21)15-16(2)23(24,3)4/h6-14,16H,15H2,1-5H3,(H,25,26)
InChIKeyALTUEMOVMCXCMP-UHFFFAOYSA-N
XLogP5.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid (CID 66615122) is 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid is CC=C(c1ccccc1C(=O)O)C1(C)c2ccccc2CC(C)C1(C)C.
What is the InChIKey of 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
The InChIKey is ALTUEMOVMCXCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-6-20(18-12-8-9-13-19(18)22(25)26)24(5)21-14-10-7-11-17(21)15-16(2)23(24,3)4/h6-14,16H,15H2,1-5H3,(H,25,26).
What are the key properties of 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid?
2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid has a molecular weight of 348.49 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,2,3-tetramethyl-3,4-dihydronaphthalen-1-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 66615122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).