1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane

C17H22O2 — CID 142094347

IUPAC1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
SMILESCC.COc1ccc(-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C15H16O2.C2H6/c1-11-4-6-12(7-5-11)13-8-9-14(16-2)15(10-13)17-3;1-2/h4-10H,1-3H3;1-2H3
InChIKeyQZYFFCNTNKGQFR-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.71
Rot. Bonds3

About 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane

1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane (PubChem CID 142094347) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane.

Molecular Properties

Compound Name1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
PubChem CID142094347
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
SMILESCC.COc1ccc(-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C15H16O2.C2H6/c1-11-4-6-12(7-5-11)13-8-9-14(16-2)15(10-13)17-3;1-2/h4-10H,1-3H3;1-2H3
InChIKeyQZYFFCNTNKGQFR-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
2-methoxy-1-(methoxymethyl)-4-(4-methylphenyl)benzene
CID 143812993
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
CID 142330852
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane?
The IUPAC name of 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane (CID 142094347) is 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane.
What is the SMILES notation for 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane?
The canonical SMILES for 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane is CC.COc1ccc(-c2ccc(C)cc2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane?
The InChIKey is QZYFFCNTNKGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C2H6/c1-11-4-6-12(7-5-11)13-8-9-14(16-2)15(10-13)17-3;1-2/h4-10H,1-3H3;1-2H3.
What are the key properties of 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane?
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane has a molecular weight of 258.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane is sourced from PubChem (CID 142094347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).