carbonic acid;1-methyl-2-(2-methylphenyl)benzene

C16H18O6 — CID 67741238

IUPACcarbonic acid;1-methyl-2-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccccc1C.O=C(O)O.O=C(O)O
InChIInChI=1S/C14H14.2CH2O3/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;2*2-1(3)4/h3-10H,1-2H3;2*(H2,2,3,4)
InChIKeyNISPEYMYCDFXEF-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.42
Rot. Bonds1

About carbonic acid;1-methyl-2-(2-methylphenyl)benzene

carbonic acid;1-methyl-2-(2-methylphenyl)benzene (PubChem CID 67741238) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is carbonic acid;1-methyl-2-(2-methylphenyl)benzene.

Molecular Properties

Compound Namecarbonic acid;1-methyl-2-(2-methylphenyl)benzene
PubChem CID67741238
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namecarbonic acid;1-methyl-2-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1ccccc1C.O=C(O)O.O=C(O)O
InChIInChI=1S/C14H14.2CH2O3/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;2*2-1(3)4/h3-10H,1-2H3;2*(H2,2,3,4)
InChIKeyNISPEYMYCDFXEF-UHFFFAOYSA-N
XLogP4.42
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
bis[2-(2-methylphenyl)phenyl] oxalate
CID 70127324
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
2,3-dimethyl-5-(2-methylphenyl)terephthalic acid
CID 87134635
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
CID 151955540
2-methyl-2-[2-(2-methylphenyl)phenyl]butanoic acid
CID 175208086
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-methyl-2-(2-methylphenyl)benzene?
The IUPAC name of carbonic acid;1-methyl-2-(2-methylphenyl)benzene (CID 67741238) is carbonic acid;1-methyl-2-(2-methylphenyl)benzene.
What is the SMILES notation for carbonic acid;1-methyl-2-(2-methylphenyl)benzene?
The canonical SMILES for carbonic acid;1-methyl-2-(2-methylphenyl)benzene is Cc1ccccc1-c1ccccc1C.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1-methyl-2-(2-methylphenyl)benzene?
The InChIKey is NISPEYMYCDFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2CH2O3/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;2*2-1(3)4/h3-10H,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1-methyl-2-(2-methylphenyl)benzene?
carbonic acid;1-methyl-2-(2-methylphenyl)benzene has a molecular weight of 306.31 g/mol, XLogP of 4.42, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-methyl-2-(2-methylphenyl)benzene is sourced from PubChem (CID 67741238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).