1,2-dimethoxy-3-prop-2-ynylbenzene

C11H12O2 — CID 119082494

IUPAC1,2-dimethoxy-3-prop-2-ynylbenzene
SMILESC#CCc1cccc(OC)c1OC
InChIInChI=1S/C11H12O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h1,5,7-8H,6H2,2-3H3
InChIKeyJGPGFIGYRCVOAN-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.88
Rot. Bonds3

About 1,2-dimethoxy-3-prop-2-ynylbenzene

1,2-dimethoxy-3-prop-2-ynylbenzene (PubChem CID 119082494) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1,2-dimethoxy-3-prop-2-ynylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-prop-2-ynylbenzene
PubChem CID119082494
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1,2-dimethoxy-3-prop-2-ynylbenzene
SMILESC#CCc1cccc(OC)c1OC
InChIInChI=1S/C11H12O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h1,5,7-8H,6H2,2-3H3
InChIKeyJGPGFIGYRCVOAN-UHFFFAOYSA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.88
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

2-methoxy-3-prop-2-ynylaniline
CID 167114087
N-[(2,3-dimethoxyphenyl)methyl]hex-5-yn-3-amine
CID 115654900
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415
CID 59317356
CID 59317356
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-prop-2-ynylbenzene?
The IUPAC name of 1,2-dimethoxy-3-prop-2-ynylbenzene (CID 119082494) is 1,2-dimethoxy-3-prop-2-ynylbenzene.
What is the SMILES notation for 1,2-dimethoxy-3-prop-2-ynylbenzene?
The canonical SMILES for 1,2-dimethoxy-3-prop-2-ynylbenzene is C#CCc1cccc(OC)c1OC.
What is the InChIKey of 1,2-dimethoxy-3-prop-2-ynylbenzene?
The InChIKey is JGPGFIGYRCVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-4-6-9-7-5-8-10(12-2)11(9)13-3/h1,5,7-8H,6H2,2-3H3.
What are the key properties of 1,2-dimethoxy-3-prop-2-ynylbenzene?
1,2-dimethoxy-3-prop-2-ynylbenzene has a molecular weight of 176.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-prop-2-ynylbenzene is sourced from PubChem (CID 119082494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).