1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene

C16H17ClO — CID 59664827

IUPAC1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(C(C)C)c1
InChIInChI=1S/C16H17ClO/c1-11(2)16-10-14(18-3)8-9-15(16)12-4-6-13(17)7-5-12/h4-11H,1-3H3
InChIKeyXSVNMWDZZVPJNL-UHFFFAOYSA-N
MW260.76 g/mol
LogP5.14
Rot. Bonds3

About 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene

1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene (PubChem CID 59664827) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
PubChem CID59664827
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(C(C)C)c1
InChIInChI=1S/C16H17ClO/c1-11(2)16-10-14(18-3)8-9-15(16)12-4-6-13(17)7-5-12/h4-11H,1-3H3
InChIKeyXSVNMWDZZVPJNL-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.76
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
CID 141399604
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
CID 21034216
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene
CID 174433994

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene?
The IUPAC name of 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene (CID 59664827) is 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene is COc1ccc(-c2ccc(Cl)cc2)c(C(C)C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene?
The InChIKey is XSVNMWDZZVPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-11(2)16-10-14(18-3)8-9-15(16)12-4-6-13(17)7-5-12/h4-11H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene?
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene has a molecular weight of 260.76 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 59664827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).