2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene

C16H22O — CID 83941973

IUPAC2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene
SMILESCC#CC(C)C(C)c1cc(C)cc(C)c1OC
InChIInChI=1S/C16H22O/c1-7-8-12(3)14(5)15-10-11(2)9-13(4)16(15)17-6/h9-10,12,14H,1-6H3
InChIKeyXOMBQEQLZCPRAM-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.07
Rot. Bonds3

About 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene

2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene (PubChem CID 83941973) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene.

Molecular Properties

Compound Name2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene
PubChem CID83941973
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene
SMILESCC#CC(C)C(C)c1cc(C)cc(C)c1OC
InChIInChI=1S/C16H22O/c1-7-8-12(3)14(5)15-10-11(2)9-13(4)16(15)17-6/h9-10,12,14H,1-6H3
InChIKeyXOMBQEQLZCPRAM-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
5-methoxy-1,3-dimethyl-2-(3-methylhex-4-yn-2-yl)benzene
CID 83940127
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
CID 83941974
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene?
The IUPAC name of 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene (CID 83941973) is 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene.
What is the SMILES notation for 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene?
The canonical SMILES for 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene is CC#CC(C)C(C)c1cc(C)cc(C)c1OC.
What is the InChIKey of 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene?
The InChIKey is XOMBQEQLZCPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-7-8-12(3)14(5)15-10-11(2)9-13(4)16(15)17-6/h9-10,12,14H,1-6H3.
What are the key properties of 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene?
2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene has a molecular weight of 230.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene is sourced from PubChem (CID 83941973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).