2-methyldibenzofuran-4-carboxylic acid

C14H10O3 — CID 167268287

IUPAC2-methyldibenzofuran-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2oc3ccccc3c2c1
InChIInChI=1S/C14H10O3/c1-8-6-10-9-4-2-3-5-12(9)17-13(10)11(7-8)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeyPZFMAJNPRNTZSQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.59
Rot. Bonds1

About 2-methyldibenzofuran-4-carboxylic acid

2-methyldibenzofuran-4-carboxylic acid (PubChem CID 167268287) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-methyldibenzofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-methyldibenzofuran-4-carboxylic acid
PubChem CID167268287
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name2-methyldibenzofuran-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2oc3ccccc3c2c1
InChIInChI=1S/C14H10O3/c1-8-6-10-9-4-2-3-5-12(9)17-13(10)11(7-8)14(15)16/h2-7H,1H3,(H,15,16)
InChIKeyPZFMAJNPRNTZSQ-UHFFFAOYSA-N
XLogP3.59
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-dibenzofuran-4-ylethanone
CID 15691981
6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-(4-iodophenyl)-2-methyldibenzofuran
CID 161298948
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
4-[1-(2-methylphenyl)ethenyl]dibenzofuran
CID 144645412
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
CID 146645135
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran-4-carboxylic acid?
The IUPAC name of 2-methyldibenzofuran-4-carboxylic acid (CID 167268287) is 2-methyldibenzofuran-4-carboxylic acid.
What is the SMILES notation for 2-methyldibenzofuran-4-carboxylic acid?
The canonical SMILES for 2-methyldibenzofuran-4-carboxylic acid is Cc1cc(C(=O)O)c2oc3ccccc3c2c1.
What is the InChIKey of 2-methyldibenzofuran-4-carboxylic acid?
The InChIKey is PZFMAJNPRNTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-8-6-10-9-4-2-3-5-12(9)17-13(10)11(7-8)14(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 2-methyldibenzofuran-4-carboxylic acid?
2-methyldibenzofuran-4-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran-4-carboxylic acid is sourced from PubChem (CID 167268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).