1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene

C34H32O — CID 91366779

IUPAC1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
SMILESCOc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1.Cc1cccc(-c2ccccc2)c1C
InChIInChI=1S/C20H18O.C14H14/c1-15-19(16-9-5-3-6-10-16)13-18(21-2)14-20(15)17-11-7-4-8-12-17;1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h3-14H,1-2H3;3-10H,1-2H3
InChIKeyQXJGROQHYONGHD-UHFFFAOYSA-N
MW456.63 g/mol
LogP9.31
Rot. Bonds4

About 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene

1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene (PubChem CID 91366779) has the molecular formula C34H32O and a molecular weight of 456.63 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
PubChem CID91366779
Molecular FormulaC34H32O
Molecular Weight456.63 g/mol
Exact Mass456.25
IUPAC Name1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene
SMILESCOc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1.Cc1cccc(-c2ccccc2)c1C
InChIInChI=1S/C20H18O.C14H14/c1-15-19(16-9-5-3-6-10-16)13-18(21-2)14-20(15)17-11-7-4-8-12-17;1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h3-14H,1-2H3;3-10H,1-2H3
InChIKeyQXJGROQHYONGHD-UHFFFAOYSA-N
XLogP9.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene?
The IUPAC name of 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene (CID 91366779) is 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene.
What is the SMILES notation for 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene?
The canonical SMILES for 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene is COc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1.Cc1cccc(-c2ccccc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene?
The InChIKey is QXJGROQHYONGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O.C14H14/c1-15-19(16-9-5-3-6-10-16)13-18(21-2)14-20(15)17-11-7-4-8-12-17;1-11-7-6-10-14(12(11)2)13-8-4-3-5-9-13/h3-14H,1-2H3;3-10H,1-2H3.
What are the key properties of 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene?
1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene has a molecular weight of 456.63 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenylbenzene;5-methoxy-2-methyl-1,3-diphenylbenzene is sourced from PubChem (CID 91366779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).