3-methyl-2-tetracen-5-ylbenzoic acid

C26H18O2 — CID 90199258

IUPAC3-methyl-2-tetracen-5-ylbenzoic acid
SMILESCc1cccc(C(=O)O)c1-c1c2ccccc2cc2cc3ccccc3cc12
InChIInChI=1S/C26H18O2/c1-16-7-6-12-22(26(27)28)24(16)25-21-11-5-4-10-19(21)14-20-13-17-8-2-3-9-18(17)15-23(20)25/h2-15H,1H3,(H,27,28)
InChIKeyYUGXHRKPMBTJNQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.82
Rot. Bonds2

About 3-methyl-2-tetracen-5-ylbenzoic acid

3-methyl-2-tetracen-5-ylbenzoic acid (PubChem CID 90199258) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-2-tetracen-5-ylbenzoic acid.

Molecular Properties

Compound Name3-methyl-2-tetracen-5-ylbenzoic acid
PubChem CID90199258
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name3-methyl-2-tetracen-5-ylbenzoic acid
SMILESCc1cccc(C(=O)O)c1-c1c2ccccc2cc2cc3ccccc3cc12
InChIInChI=1S/C26H18O2/c1-16-7-6-12-22(26(27)28)24(16)25-21-11-5-4-10-19(21)14-20-13-17-8-2-3-9-18(17)15-23(20)25/h2-15H,1H3,(H,27,28)
InChIKeyYUGXHRKPMBTJNQ-UHFFFAOYSA-N
XLogP6.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-tetracen-5-ylbenzoate
CID 86720844
9-anthracen-9-ylanthracene;toluene
CID 86148014
1-(2,6-dimethylphenyl)pentacene
CID 163989342
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
anthracene-1,9-dicarboxylic acid
CID 13155838
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313
9-(4-hydroxyphenyl)anthracene-1-carboxylic acid
CID 174994514
2-(2,3-dimethylphenyl)anthracene-1-carboxylic acid
CID 88768650
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
carbonic acid;1-methylnaphthalene
CID 66808059
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-tetracen-5-ylbenzoic acid?
The IUPAC name of 3-methyl-2-tetracen-5-ylbenzoic acid (CID 90199258) is 3-methyl-2-tetracen-5-ylbenzoic acid.
What is the SMILES notation for 3-methyl-2-tetracen-5-ylbenzoic acid?
The canonical SMILES for 3-methyl-2-tetracen-5-ylbenzoic acid is Cc1cccc(C(=O)O)c1-c1c2ccccc2cc2cc3ccccc3cc12.
What is the InChIKey of 3-methyl-2-tetracen-5-ylbenzoic acid?
The InChIKey is YUGXHRKPMBTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-16-7-6-12-22(26(27)28)24(16)25-21-11-5-4-10-19(21)14-20-13-17-8-2-3-9-18(17)15-23(20)25/h2-15H,1H3,(H,27,28).
What are the key properties of 3-methyl-2-tetracen-5-ylbenzoic acid?
3-methyl-2-tetracen-5-ylbenzoic acid has a molecular weight of 362.43 g/mol, XLogP of 6.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-tetracen-5-ylbenzoic acid is sourced from PubChem (CID 90199258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).