carbonic acid;1,2-dimethyl-3-phenylbenzene

C16H18O6 — CID 67785413

IUPACcarbonic acid;1,2-dimethyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1C.O=C(O)O.O=C(O)O
InChIInChI=1S/C14H14.2CH2O3/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;2*2-1(3)4/h3-10H,1-2H3;2*(H2,2,3,4)
InChIKeyKTULZGXDXZHTKN-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.42
Rot. Bonds1

About carbonic acid;1,2-dimethyl-3-phenylbenzene

carbonic acid;1,2-dimethyl-3-phenylbenzene (PubChem CID 67785413) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is carbonic acid;1,2-dimethyl-3-phenylbenzene.

Molecular Properties

Compound Namecarbonic acid;1,2-dimethyl-3-phenylbenzene
PubChem CID67785413
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Namecarbonic acid;1,2-dimethyl-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1C.O=C(O)O.O=C(O)O
InChIInChI=1S/C14H14.2CH2O3/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;2*2-1(3)4/h3-10H,1-2H3;2*(H2,2,3,4)
InChIKeyKTULZGXDXZHTKN-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

1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
CID 82092597
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
(E)-3-[4-(2,3-dimethylphenyl)phenyl]but-2-enoic acid
CID 82092013
1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
CID 91366779
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
2-methyl-6-phenylphenol
CID 12592481
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,2-dimethyl-3-phenylbenzene?
The IUPAC name of carbonic acid;1,2-dimethyl-3-phenylbenzene (CID 67785413) is carbonic acid;1,2-dimethyl-3-phenylbenzene.
What is the SMILES notation for carbonic acid;1,2-dimethyl-3-phenylbenzene?
The canonical SMILES for carbonic acid;1,2-dimethyl-3-phenylbenzene is Cc1cccc(-c2ccccc2)c1C.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1,2-dimethyl-3-phenylbenzene?
The InChIKey is KTULZGXDXZHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.2CH2O3/c1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13;2*2-1(3)4/h3-10H,1-2H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1,2-dimethyl-3-phenylbenzene?
carbonic acid;1,2-dimethyl-3-phenylbenzene 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;1,2-dimethyl-3-phenylbenzene is sourced from PubChem (CID 67785413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).