1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene

C19H22Cl2O — CID 174342674

IUPAC1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
SMILESCC(C)CC(C)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H22Cl2O/c1-13(2)11-14(3)15-7-9-16(10-8-15)22-12-17-18(20)5-4-6-19(17)21/h4-10,13-14H,11-12H2,1-3H3
InChIKeyRNLVCFFKVWSMTH-UHFFFAOYSA-N
MW337.29 g/mol
LogP6.72
Rot. Bonds6

About 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene

1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene (PubChem CID 174342674) has the molecular formula C19H22Cl2O and a molecular weight of 337.29 g/mol. Its IUPAC name is 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
PubChem CID174342674
Molecular FormulaC19H22Cl2O
Molecular Weight337.29 g/mol
Exact Mass336.10
IUPAC Name1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
SMILESCC(C)CC(C)c1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H22Cl2O/c1-13(2)11-14(3)15-7-9-16(10-8-15)22-12-17-18(20)5-4-6-19(17)21/h4-10,13-14H,11-12H2,1-3H3
InChIKeyRNLVCFFKVWSMTH-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.29
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]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 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene (CID 174342674) is 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene is CC(C)CC(C)c1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene?
The InChIKey is RNLVCFFKVWSMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2O/c1-13(2)11-14(3)15-7-9-16(10-8-15)22-12-17-18(20)5-4-6-19(17)21/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene?
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene has a molecular weight of 337.29 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene is sourced from PubChem (CID 174342674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).