2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid

C20H16O3 — CID 73355896

IUPAC2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)c(C=Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H16O3/c1-13-10-17(19(20(22)23)18(21)11-13)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h2-12,21H,1H3,(H,22,23)
InChIKeyBKDMHDPUNSRQJE-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.72
Rot. Bonds3

About 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid

2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid (PubChem CID 73355896) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid
PubChem CID73355896
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid
SMILESCc1cc(O)c(C(=O)O)c(C=Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H16O3/c1-13-10-17(19(20(22)23)18(21)11-13)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h2-12,21H,1H3,(H,22,23)
InChIKeyBKDMHDPUNSRQJE-UHFFFAOYSA-N
XLogP4.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid (CID 73355896) is 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid is Cc1cc(O)c(C(=O)O)c(C=Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid?
The InChIKey is BKDMHDPUNSRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-13-10-17(19(20(22)23)18(21)11-13)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h2-12,21H,1H3,(H,22,23).
What are the key properties of 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid?
2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid has a molecular weight of 304.35 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-(2-naphthalen-2-ylethenyl)benzoic acid is sourced from PubChem (CID 73355896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).