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

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Related Compounds

1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
1-ethoxy-4-(4-methylpentan-2-yl)benzene
CID 57011514
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
1-[4-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanamine
CID 63746767
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959

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).