4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene

C17H18Cl2O2 — CID 63432686

IUPAC4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1C(Cl)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H18Cl2O2/c1-11(2)21-14-7-4-12(5-8-14)17(19)15-9-6-13(18)10-16(15)20-3/h4-11,17H,1-3H3
InChIKeyNGCNYGGYNKDTJQ-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.46
Rot. Bonds5

About 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene

4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene (PubChem CID 63432686) has the molecular formula C17H18Cl2O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
PubChem CID63432686
Molecular FormulaC17H18Cl2O2
Molecular Weight325.24 g/mol
Exact Mass324.07
IUPAC Name4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1C(Cl)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H18Cl2O2/c1-11(2)21-14-7-4-12(5-8-14)17(19)15-9-6-13(18)10-16(15)20-3/h4-11,17H,1-3H3
InChIKeyNGCNYGGYNKDTJQ-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2-methoxybenzene
CID 63430663
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
1-[(4-butylphenyl)-chloromethyl]-4-chloro-2-methoxybenzene
CID 63431471
2-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methylbenzene
CID 106862927
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
(2-methoxy-4-methylphenyl)-(4-propan-2-yloxyphenyl)methanol
CID 106790887
1-[chloro-(4-propan-2-yloxyphenyl)methyl]-3,5-difluorobenzene
CID 63432827
1,4-dibromo-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-methylbenzene
CID 81473241
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene?
The IUPAC name of 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene (CID 63432686) is 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene?
The canonical SMILES for 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene is COc1cc(Cl)ccc1C(Cl)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene?
The InChIKey is NGCNYGGYNKDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O2/c1-11(2)21-14-7-4-12(5-8-14)17(19)15-9-6-13(18)10-16(15)20-3/h4-11,17H,1-3H3.
What are the key properties of 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene?
4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene has a molecular weight of 325.24 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 63432686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).