1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene

C11H13ClO2 — CID 10798623

IUPAC1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
SMILESC=C(Cl)COCc1ccc(OC)cc1
InChIInChI=1S/C11H13ClO2/c1-9(12)7-14-8-10-3-5-11(13-2)6-4-10/h3-6H,1,7-8H2,2H3
InChIKeySEXRTCAVIAPHML-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene

1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene (PubChem CID 10798623) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
PubChem CID10798623
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
SMILESC=C(Cl)COCc1ccc(OC)cc1
InChIInChI=1S/C11H13ClO2/c1-9(12)7-14-8-10-3-5-11(13-2)6-4-10/h3-6H,1,7-8H2,2H3
InChIKeySEXRTCAVIAPHML-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
4-Methoxybenzyl acetate
CID 7695
4-Methoxybenzyl formate
CID 61054
1'-Acetoxychavicol Acetate
CID 119104
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
Anisyl propionate
CID 61417
4-(Methoxymethyl)phenol
CID 79310

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene (CID 10798623) is 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene is C=C(Cl)COCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene?
The InChIKey is SEXRTCAVIAPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-9(12)7-14-8-10-3-5-11(13-2)6-4-10/h3-6H,1,7-8H2,2H3.
What are the key properties of 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene?
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene has a molecular weight of 212.68 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 10798623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).