1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene

C13H16O — CID 19066508

IUPAC1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene
SMILESCC#CC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C13H16O/c1-5-10-13(2,3)11-6-8-12(14-4)9-7-11/h6-9H,1-4H3
InChIKeyNXCGMXFEMITJPZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds2

About 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene

1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene (PubChem CID 19066508) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene
PubChem CID19066508
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene
SMILESCC#CC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C13H16O/c1-5-10-13(2,3)11-6-8-12(14-4)9-7-11/h6-9H,1-4H3
InChIKeyNXCGMXFEMITJPZ-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.00
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

1-chloro-4-[3-(4-methoxyphenyl)-3-methylbut-1-ynyl]benzene
CID 46854286
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
N-[2-(4-methoxyphenyl)propan-2-yl]-N-methylhydroxylamine
CID 82606296
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
1-methoxy-4-(2-methylsulfanylpropan-2-yl)benzene
CID 123567151
[2-[bis(4-methoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(4-methoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 87392310
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene?
The IUPAC name of 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene (CID 19066508) is 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene?
The canonical SMILES for 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene is CC#CC(C)(C)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene?
The InChIKey is NXCGMXFEMITJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-5-10-13(2,3)11-6-8-12(14-4)9-7-11/h6-9H,1-4H3.
What are the key properties of 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene?
1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene has a molecular weight of 188.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylpent-3-yn-2-yl)benzene is sourced from PubChem (CID 19066508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).