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

C23H26O2 — CID 69396200

IUPAC4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
SMILESC/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C23H26O2/c1-15(12-16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(13-18)23(4,5)14-22(19,2)3/h6-13H,14H2,1-5H3,(H,24,25)/b15-12-
InChIKeyFUCBJLFYALIAEU-QINSGFPZSA-N
MW334.46 g/mol
LogP5.90
Rot. Bonds3

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

4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid (PubChem CID 69396200) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
PubChem CID69396200
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
SMILESC/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C23H26O2/c1-15(12-16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(13-18)23(4,5)14-22(19,2)3/h6-13H,14H2,1-5H3,(H,24,25)/b15-12-
InChIKeyFUCBJLFYALIAEU-QINSGFPZSA-N
XLogP5.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.90
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

piperidine;4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
CID 159386403
4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
CID 22026423
4-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonic acid
CID 6439761
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 14425582
1,1,4,4-tetramethyl-6-[(Z)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
CID 18990095
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenethiol
CID 54087498
4-[(E)-2-(5,5-dimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid
CID 18646291
[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]phosphonic acid
CID 14371698
4-[2-(3,5,5-trimethyl-3,4-dihydro-2H-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid
CID 54028710
4-[2-(3,3-dimethyl-4,5-dihydro-2H-1-benzothiepin-8-yl)prop-1-enyl]benzoic acid
CID 54058439
2-methyl-4-[(E)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid
CID 11372430
4-[2-(4,4-dimethyl-1-sulfinyl-2,3-dihydrothiochromen-7-yl)prop-1-enyl]benzoic acid
CID 67734780

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid (CID 69396200) is 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid is C/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC2(C)C.
What is the InChIKey of 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid?
The InChIKey is FUCBJLFYALIAEU-QINSGFPZSA-N. The full InChI is InChI=1S/C23H26O2/c1-15(12-16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(13-18)23(4,5)14-22(19,2)3/h6-13H,14H2,1-5H3,(H,24,25)/b15-12-.
What are the key properties of 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid?
4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid has a molecular weight of 334.46 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 69396200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).