1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene

C11H13ClO2 — CID 46906491

IUPAC1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4-7H,1-3H3/b5-4+
InChIKeyZYMZRQGYFCXBAF-SNAWJCMRSA-N
MW212.68 g/mol
LogP3.39
Rot. Bonds3

About 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene

1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene (PubChem CID 46906491) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
PubChem CID46906491
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C11H13ClO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4-7H,1-3H3/b5-4+
InChIKeyZYMZRQGYFCXBAF-SNAWJCMRSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
N-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]acetamide
CID 174646085
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 134891354
2,3,6-trimethoxy-5-prop-1-enylphenol
CID 85344788
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enal
CID 169459460
[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
CID 90161973
1,4-dichloro-2-prop-1-enylbenzene
CID 70502505
5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene
CID 142565280
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene
CID 173339850
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene (CID 46906491) is 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene?
The InChIKey is ZYMZRQGYFCXBAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4-7H,1-3H3/b5-4+.
What are the key properties of 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene?
1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene has a molecular weight of 212.68 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 46906491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).