1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene

C17H19ClO2 — CID 61085205

IUPAC1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C17H19ClO2/c1-12(2)20-16-10-6-14(7-11-16)17(18)13-4-8-15(19-3)9-5-13/h4-12,17H,1-3H3
InChIKeyZEEHDUMQFLNISQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.81
Rot. Bonds5

About 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene

1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene (PubChem CID 61085205) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
PubChem CID61085205
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C17H19ClO2/c1-12(2)20-16-10-6-14(7-11-16)17(18)13-4-8-15(19-3)9-5-13/h4-12,17H,1-3H3
InChIKeyZEEHDUMQFLNISQ-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.81
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

1-[chloro-(4-methylsulfanylphenyl)methyl]-4-propan-2-yloxybenzene
CID 79217227
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
CID 81123738
1-[chloro-(4-propan-2-yloxyphenyl)methyl]-3,5-difluorobenzene
CID 63432827
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
CID 63432686
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
5-[chloro-(4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 55158103
2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
CID 63432334
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-propan-2-yloxybenzene
CID 79217300
1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
CID 61081166
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene?
The IUPAC name of 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene (CID 61085205) is 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene?
The canonical SMILES for 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene is COc1ccc(C(Cl)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene?
The InChIKey is ZEEHDUMQFLNISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12(2)20-16-10-6-14(7-11-16)17(18)13-4-8-15(19-3)9-5-13/h4-12,17H,1-3H3.
What are the key properties of 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene?
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene has a molecular weight of 290.79 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene is sourced from PubChem (CID 61085205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).