1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene

C16H26O — CID 173474378

IUPAC1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
SMILESCOc1ccccc1C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H26O/c1-15(2,3)14(16(4,5)6)12-10-8-9-11-13(12)17-7/h8-11,14H,1-7H3
InChIKeyPPJXOFVFDAIEAY-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.87
Rot. Bonds2

About 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene

1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene (PubChem CID 173474378) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
PubChem CID173474378
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
SMILESCOc1ccccc1C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H26O/c1-15(2,3)14(16(4,5)6)12-10-8-9-11-13(12)17-7/h8-11,14H,1-7H3
InChIKeyPPJXOFVFDAIEAY-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,2,4,4-tetramethylpentan-3-yl)phenyl] hypochlorite
CID 139804425
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1,3-bis[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]imidazolidine
CID 102310465
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
(1R,3S)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236822
(1S,3R)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237432
1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904570
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene?
The IUPAC name of 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene (CID 173474378) is 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene.
What is the SMILES notation for 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene?
The canonical SMILES for 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene is COc1ccccc1C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene?
The InChIKey is PPJXOFVFDAIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-15(2,3)14(16(4,5)6)12-10-8-9-11-13(12)17-7/h8-11,14H,1-7H3.
What are the key properties of 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene?
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene is sourced from PubChem (CID 173474378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).