1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene

C17H19ClO — CID 19165261

IUPAC1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
SMILESCC(C)(C)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO/c1-17(2,3)15-6-4-5-7-16(15)19-12-13-8-10-14(18)11-9-13/h4-11H,12H2,1-3H3
InChIKeyUAMSNPXXQLRXIC-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.22
Rot. Bonds3

About 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene

1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene (PubChem CID 19165261) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
PubChem CID19165261
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
SMILESCC(C)(C)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO/c1-17(2,3)15-6-4-5-7-16(15)19-12-13-8-10-14(18)11-9-13/h4-11H,12H2,1-3H3
InChIKeyUAMSNPXXQLRXIC-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500
2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
CID 64765519
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
2-(2-tert-butylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169726
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
2-(2-tert-butylphenoxy)-3-(4-chlorophenyl)propanoic acid
CID 133245386

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene?
The IUPAC name of 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene (CID 19165261) is 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene.
What is the SMILES notation for 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene?
The canonical SMILES for 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene is CC(C)(C)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene?
The InChIKey is UAMSNPXXQLRXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-17(2,3)15-6-4-5-7-16(15)19-12-13-8-10-14(18)11-9-13/h4-11H,12H2,1-3H3.
What are the key properties of 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene?
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene has a molecular weight of 274.79 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene is sourced from PubChem (CID 19165261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).