4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid

C22H24O2 — CID 22026423

IUPAC4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
SMILESC/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C22H24O2/c1-15(13-16-6-8-18(9-7-16)21(23)24)19-11-10-17-5-4-12-22(2,3)20(17)14-19/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24)/b15-13-
InChIKeyKZFIKZMCPAIKBF-SQFISAMPSA-N
MW320.43 g/mol
LogP5.56
Rot. Bonds3

About 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid

4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid (PubChem CID 22026423) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
PubChem CID22026423
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
SMILESC/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C22H24O2/c1-15(13-16-6-8-18(9-7-16)21(23)24)19-11-10-17-5-4-12-22(2,3)20(17)14-19/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24)/b15-13-
InChIKeyKZFIKZMCPAIKBF-SQFISAMPSA-N
XLogP5.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid (CID 22026423) is 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid is C/C(=C/c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2.
What is the InChIKey of 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid?
The InChIKey is KZFIKZMCPAIKBF-SQFISAMPSA-N. The full InChI is InChI=1S/C22H24O2/c1-15(13-16-6-8-18(9-7-16)21(23)24)19-11-10-17-5-4-12-22(2,3)20(17)14-19/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24)/b15-13-.
What are the key properties of 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid?
4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid has a molecular weight of 320.43 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid is sourced from PubChem (CID 22026423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).