methane;1-methoxy-4-(4-methylphenyl)benzene

C17H26O — CID 159881054

IUPACmethane;1-methoxy-4-(4-methylphenyl)benzene
SMILESC.C.C.COc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O.3CH4/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;;;/h3-10H,1-2H3;3*1H4
InChIKeyNTNJYYQRKWBUSU-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.58
Rot. Bonds2

About methane;1-methoxy-4-(4-methylphenyl)benzene

methane;1-methoxy-4-(4-methylphenyl)benzene (PubChem CID 159881054) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is methane;1-methoxy-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Namemethane;1-methoxy-4-(4-methylphenyl)benzene
PubChem CID159881054
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Namemethane;1-methoxy-4-(4-methylphenyl)benzene
SMILESC.C.C.COc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O.3CH4/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;;;/h3-10H,1-2H3;3*1H4
InChIKeyNTNJYYQRKWBUSU-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 144891551
1-methoxy-4-methylbenzene;propane
CID 142064987
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
4-methoxyphenol;4-methylphenol
CID 158312507
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-4-(4-methylphenyl)benzene?
The IUPAC name of methane;1-methoxy-4-(4-methylphenyl)benzene (CID 159881054) is methane;1-methoxy-4-(4-methylphenyl)benzene.
What is the SMILES notation for methane;1-methoxy-4-(4-methylphenyl)benzene?
The canonical SMILES for methane;1-methoxy-4-(4-methylphenyl)benzene is C.C.C.COc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of methane;1-methoxy-4-(4-methylphenyl)benzene?
The InChIKey is NTNJYYQRKWBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.3CH4/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;;;/h3-10H,1-2H3;3*1H4.
What are the key properties of methane;1-methoxy-4-(4-methylphenyl)benzene?
methane;1-methoxy-4-(4-methylphenyl)benzene has a molecular weight of 246.39 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-4-(4-methylphenyl)benzene is sourced from PubChem (CID 159881054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).