1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C25H25ClO2 — CID 3067205

IUPAC1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESC=C(Cl)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H25ClO2/c1-19(26)21-12-14-22(15-13-21)25(2,3)18-27-17-20-8-7-11-24(16-20)28-23-9-5-4-6-10-23/h4-16H,1,17-18H2,2-3H3
InChIKeyJSDSCWZIGNRSGP-UHFFFAOYSA-N
MW392.93 g/mol
LogP7.18
Rot. Bonds8

About 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3067205) has the molecular formula C25H25ClO2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3067205
Molecular FormulaC25H25ClO2
Molecular Weight392.93 g/mol
Exact Mass392.15
IUPAC Name1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESC=C(Cl)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H25ClO2/c1-19(26)21-12-14-22(15-13-21)25(2,3)18-27-17-20-8-7-11-24(16-20)28-23-9-5-4-6-10-23/h4-16H,1,17-18H2,2-3H3
InChIKeyJSDSCWZIGNRSGP-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3067205) is 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is C=C(Cl)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is JSDSCWZIGNRSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClO2/c1-19(26)21-12-14-22(15-13-21)25(2,3)18-27-17-20-8-7-11-24(16-20)28-23-9-5-4-6-10-23/h4-16H,1,17-18H2,2-3H3.
What are the key properties of 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 392.93 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethenyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).