2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene

C16H26O — CID 71320824

IUPAC2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
SMILESCOc1cc(C(C)CCCC(C)C)ccc1C
InChIInChI=1S/C16H26O/c1-12(2)7-6-8-13(3)15-10-9-14(4)16(11-15)17-5/h9-13H,6-8H2,1-5H3
InChIKeyWORRGNTUXNIQNR-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.93
Rot. Bonds6

About 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene

2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene (PubChem CID 71320824) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
PubChem CID71320824
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
SMILESCOc1cc(C(C)CCCC(C)C)ccc1C
InChIInChI=1S/C16H26O/c1-12(2)7-6-8-13(3)15-10-9-14(4)16(11-15)17-5/h9-13H,6-8H2,1-5H3
InChIKeyWORRGNTUXNIQNR-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
CID 71369401
[1-(3-methoxy-4-methylphenyl)-4-methylpentyl]hydrazine
CID 105294130
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
4-hexan-2-yl-2-methoxyphenol
CID 10285881
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene?
The IUPAC name of 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene (CID 71320824) is 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene.
What is the SMILES notation for 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene?
The canonical SMILES for 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene is COc1cc(C(C)CCCC(C)C)ccc1C.
What is the InChIKey of 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene?
The InChIKey is WORRGNTUXNIQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12(2)7-6-8-13(3)15-10-9-14(4)16(11-15)17-5/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene?
2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene is sourced from PubChem (CID 71320824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).