4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene

C12H14O3 — CID 10845949

IUPAC4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene
SMILESC#Cc1ccc(C(OC)OC)cc1OC
InChIInChI=1S/C12H14O3/c1-5-9-6-7-10(8-11(9)13-2)12(14-3)15-4/h1,6-8,12H,2-4H3
InChIKeyYVRIICGBGMPOMO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.97
Rot. Bonds4

About 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene

4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene (PubChem CID 10845949) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene.

Molecular Properties

Compound Name4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene
PubChem CID10845949
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene
SMILESC#Cc1ccc(C(OC)OC)cc1OC
InChIInChI=1S/C12H14O3/c1-5-9-6-7-10(8-11(9)13-2)12(14-3)15-4/h1,6-8,12H,2-4H3
InChIKeyYVRIICGBGMPOMO-UHFFFAOYSA-N
XLogP1.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-ethynyl-2-methoxybenzene
CID 89397090
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
(4-ethynyl-3-methoxyphenyl) carbamate
CID 175536967
4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
CID 146034914
4-(3-ethylphenyl)-1-ethynyl-2-methoxybenzene
CID 146037648
[4-(dimethoxymethyl)phenyl]-dimethylsilane
CID 150941180
N-[[4-(dimethoxymethyl)phenyl]methyl]prop-2-yn-1-amine
CID 118266829
5-ethynyl-4-methoxy-2-propan-2-ylphenol
CID 130034854
2-methoxy-5-pentan-3-ylbenzonitrile
CID 117291789
4-(dimethoxymethyl)-2,6-dimethoxybenzoic acid
CID 134227267
1-tert-butyl-4-(dimethoxymethyl)benzene
CID 11085047
ethane;4-ethynyl-1,2-dimethoxybenzene
CID 91460620

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene?
The IUPAC name of 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene (CID 10845949) is 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene.
What is the SMILES notation for 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene?
The canonical SMILES for 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene is C#Cc1ccc(C(OC)OC)cc1OC.
What is the InChIKey of 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene?
The InChIKey is YVRIICGBGMPOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-5-9-6-7-10(8-11(9)13-2)12(14-3)15-4/h1,6-8,12H,2-4H3.
What are the key properties of 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene?
4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene has a molecular weight of 206.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-1-ethynyl-2-methoxybenzene is sourced from PubChem (CID 10845949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).