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

C13H14O2 — CID 155907424

IUPAC2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene
SMILESC#Cc1ccc(OC)cc1OCC1CC1
InChIInChI=1S/C13H14O2/c1-3-11-6-7-12(14-2)8-13(11)15-9-10-4-5-10/h1,6-8,10H,4-5,9H2,2H3
InChIKeyIYILERSBLBSSHM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.47
Rot. Bonds4

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

2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene (PubChem CID 155907424) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene
PubChem CID155907424
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene
SMILESC#Cc1ccc(OC)cc1OCC1CC1
InChIInChI=1S/C13H14O2/c1-3-11-6-7-12(14-2)8-13(11)15-9-10-4-5-10/h1,6-8,10H,4-5,9H2,2H3
InChIKeyIYILERSBLBSSHM-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.47
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-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene
CID 168720072
3-[2-(cyclopentylmethoxy)-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706862
2-ethynyl-5-methoxybenzonitrile
CID 166529929
2-ethynyl-5-methoxyphenol;nonylcyclopropane
CID 87439549
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
(2-ethynyl-5-methoxyphenyl)methanamine
CID 130535133
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene (CID 155907424) is 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene is C#Cc1ccc(OC)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene?
The InChIKey is IYILERSBLBSSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-3-11-6-7-12(14-2)8-13(11)15-9-10-4-5-10/h1,6-8,10H,4-5,9H2,2H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene?
2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene has a molecular weight of 202.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene is sourced from PubChem (CID 155907424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).