1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene

C14H18O — CID 83939698

IUPAC1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
SMILESC#CCC(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C14H18O/c1-6-7-10(2)13-8-9-14(15-5)12(4)11(13)3/h1,8-10H,7H2,2-5H3
InChIKeyOSHICNUGHOKPAJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.44
Rot. Bonds3

About 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene

1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene (PubChem CID 83939698) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
PubChem CID83939698
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene
SMILESC#CCC(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C14H18O/c1-6-7-10(2)13-8-9-14(15-5)12(4)11(13)3/h1,8-10H,7H2,2-5H3
InChIKeyOSHICNUGHOKPAJ-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.44
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-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-methoxy-2-pent-4-yn-2-ylbenzene
CID 83929027
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
CID 112514545
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
3-(2,4-dimethoxy-3-methylphenyl)butanal
CID 117318171
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945772
1-(2-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 106791601
1-methoxy-4-[(4-methoxy-2,3-dimethylphenyl)-(2-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 58297984
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene?
The IUPAC name of 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene (CID 83939698) is 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene?
The canonical SMILES for 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene is C#CCC(C)c1ccc(OC)c(C)c1C.
What is the InChIKey of 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene?
The InChIKey is OSHICNUGHOKPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-6-7-10(2)13-8-9-14(15-5)12(4)11(13)3/h1,8-10H,7H2,2-5H3.
What are the key properties of 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene?
1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethyl-4-pent-4-yn-2-ylbenzene is sourced from PubChem (CID 83939698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).