2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid

C24H24O2 — CID 140570180

IUPAC2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid
SMILESC/C(=C\c1ccccc1C(=O)O)c1ccc2c(C)c(C)c(C)c(C)c2c1
InChIInChI=1S/C24H24O2/c1-14(12-20-8-6-7-9-22(20)24(25)26)19-10-11-21-17(4)15(2)16(3)18(5)23(21)13-19/h6-13H,1-5H3,(H,25,26)/b14-12+
InChIKeyGJWAPICRNXPPDC-WYMLVPIESA-N
MW344.45 g/mol
LogP6.33
Rot. Bonds3

About 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid

2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid (PubChem CID 140570180) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid
PubChem CID140570180
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid
SMILESC/C(=C\c1ccccc1C(=O)O)c1ccc2c(C)c(C)c(C)c(C)c2c1
InChIInChI=1S/C24H24O2/c1-14(12-20-8-6-7-9-22(20)24(25)26)19-10-11-21-17(4)15(2)16(3)18(5)23(21)13-19/h6-13H,1-5H3,(H,25,26)/b14-12+
InChIKeyGJWAPICRNXPPDC-WYMLVPIESA-N
XLogP6.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-[3,4-di(propan-2-yl)phenyl]prop-1-enyl]benzoic acid
CID 22990227
2-(2-nitroprop-1-enyl)benzoic acid
CID 54098405
1-[2-(2-methylprop-1-enyl)phenyl]-2-phenylethane-1,2-dione
CID 102031724
2-[(Z)-2-carboxy-2-(3,4-dichlorophenyl)ethenyl]benzoic acid
CID 83954049
2-ethenylbenzoic acid;prop-1-en-2-ylbenzene
CID 174866821
2-[(Z)-2-(4-bromophenyl)-2-carboxyethenyl]benzoic acid
CID 112721015
4-[(E)-2-phenylprop-1-enyl]pyridine-3-carboxamide
CID 13464007
benzoic acid;2-ethenylbenzoic acid
CID 158841861
2-formylbenzoic acid;methoxymethane
CID 90858085
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281
2-fluoro-3-prop-1-enylbenzoic acid
CID 67068425
2-[(Z)-2-carboxy-2-(4-ethoxy-2-methylphenyl)ethenyl]benzoic acid
CID 83954063

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid (CID 140570180) is 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid is C/C(=C\c1ccccc1C(=O)O)c1ccc2c(C)c(C)c(C)c(C)c2c1.
What is the InChIKey of 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid?
The InChIKey is GJWAPICRNXPPDC-WYMLVPIESA-N. The full InChI is InChI=1S/C24H24O2/c1-14(12-20-8-6-7-9-22(20)24(25)26)19-10-11-21-17(4)15(2)16(3)18(5)23(21)13-19/h6-13H,1-5H3,(H,25,26)/b14-12+.
What are the key properties of 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid?
2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid has a molecular weight of 344.45 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5,6,7,8-tetramethylnaphthalen-2-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 140570180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).