ethane;4-ethynyl-1,2-dimethoxybenzene

C12H16O2 — CID 91460620

IUPACethane;4-ethynyl-1,2-dimethoxybenzene
SMILESC#Cc1ccc(OC)c(OC)c1.CC
InChIInChI=1S/C10H10O2.C2H6/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-2/h1,5-7H,2-3H3;1-2H3
InChIKeyYNDKJEVIYCCBFC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.71
Rot. Bonds2

About ethane;4-ethynyl-1,2-dimethoxybenzene

ethane;4-ethynyl-1,2-dimethoxybenzene (PubChem CID 91460620) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;4-ethynyl-1,2-dimethoxybenzene.

Molecular Properties

Compound Nameethane;4-ethynyl-1,2-dimethoxybenzene
PubChem CID91460620
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethane;4-ethynyl-1,2-dimethoxybenzene
SMILESC#Cc1ccc(OC)c(OC)c1.CC
InChIInChI=1S/C10H10O2.C2H6/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-2/h1,5-7H,2-3H3;1-2H3
InChIKeyYNDKJEVIYCCBFC-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-ethynyl-2-methoxybenzene
CID 131857693
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
5-ethynyl-2-iodo-1,3-dimethoxybenzene
CID 134860651
2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
CID 11160666
1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
CID 175893190
5-[2-(3,4-dimethoxyphenyl)ethynyl]benzene-1,3-diol
CID 171920433
1,2-dichloro-4-(5-ethynyl-2-methoxyphenyl)benzene
CID 172879733
5-ethynylpyrimidine;4-fluoro-1,2-dimethoxybenzene
CID 142838776
4-(3,4-dimethoxyphenyl)but-3-ynenitrile
CID 170475083
13-(4-ethynyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88924483
2-(5-ethynyl-2-methoxyphenyl)-3-methylpyridine
CID 166638972
4-ethynyl-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 172879728

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethynyl-1,2-dimethoxybenzene?
The IUPAC name of ethane;4-ethynyl-1,2-dimethoxybenzene (CID 91460620) is ethane;4-ethynyl-1,2-dimethoxybenzene.
What is the SMILES notation for ethane;4-ethynyl-1,2-dimethoxybenzene?
The canonical SMILES for ethane;4-ethynyl-1,2-dimethoxybenzene is C#Cc1ccc(OC)c(OC)c1.CC.
What is the InChIKey of ethane;4-ethynyl-1,2-dimethoxybenzene?
The InChIKey is YNDKJEVIYCCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H6/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-2/h1,5-7H,2-3H3;1-2H3.
What are the key properties of ethane;4-ethynyl-1,2-dimethoxybenzene?
ethane;4-ethynyl-1,2-dimethoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethynyl-1,2-dimethoxybenzene is sourced from PubChem (CID 91460620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).