1-tert-butyl-2-(4-methoxyphenyl)benzene

C17H20O — CID 58663059

IUPAC1-tert-butyl-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C17H20O/c1-17(2,3)16-8-6-5-7-15(16)13-9-11-14(18-4)12-10-13/h5-12H,1-4H3
InChIKeyPNKFURJVIMIYHI-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.66
Rot. Bonds2

About 1-tert-butyl-2-(4-methoxyphenyl)benzene

1-tert-butyl-2-(4-methoxyphenyl)benzene (PubChem CID 58663059) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-2-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-(4-methoxyphenyl)benzene
PubChem CID58663059
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-tert-butyl-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C17H20O/c1-17(2,3)16-8-6-5-7-15(16)13-9-11-14(18-4)12-10-13/h5-12H,1-4H3
InChIKeyPNKFURJVIMIYHI-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene
CID 144729773
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
1-methoxy-4-[2-(trichloromethyl)phenyl]benzene;trifluoromethanesulfonic acid
CID 160642403
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(4-methoxyphenyl)benzene?
The IUPAC name of 1-tert-butyl-2-(4-methoxyphenyl)benzene (CID 58663059) is 1-tert-butyl-2-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-tert-butyl-2-(4-methoxyphenyl)benzene is COc1ccc(-c2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-2-(4-methoxyphenyl)benzene?
The InChIKey is PNKFURJVIMIYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2,3)16-8-6-5-7-15(16)13-9-11-14(18-4)12-10-13/h5-12H,1-4H3.
What are the key properties of 1-tert-butyl-2-(4-methoxyphenyl)benzene?
1-tert-butyl-2-(4-methoxyphenyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.66, 2 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-methoxyphenyl)benzene is sourced from PubChem (CID 58663059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).