1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene

C23H32O2 — CID 135218322

IUPAC1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
SMILESCOc1ccc(C(C)(C)CCc2cc(OC)cc(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H32O2/c1-22(2,3)19-14-17(15-21(16-19)25-7)12-13-23(4,5)18-8-10-20(24-6)11-9-18/h8-11,14-16H,12-13H2,1-7H3
InChIKeyAOKYDLUHXGUMHB-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.91
Rot. Bonds6

About 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene

1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene (PubChem CID 135218322) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
PubChem CID135218322
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
SMILESCOc1ccc(C(C)(C)CCc2cc(OC)cc(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H32O2/c1-22(2,3)19-14-17(15-21(16-19)25-7)12-13-23(4,5)18-8-10-20(24-6)11-9-18/h8-11,14-16H,12-13H2,1-7H3
InChIKeyAOKYDLUHXGUMHB-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene
CID 139460622
1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
CID 121309447
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
CID 633671
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene?
The IUPAC name of 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene (CID 135218322) is 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene.
What is the SMILES notation for 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene?
The canonical SMILES for 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene is COc1ccc(C(C)(C)CCc2cc(OC)cc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene?
The InChIKey is AOKYDLUHXGUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-22(2,3)19-14-17(15-21(16-19)25-7)12-13-23(4,5)18-8-10-20(24-6)11-9-18/h8-11,14-16H,12-13H2,1-7H3.
What are the key properties of 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene?
1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene has a molecular weight of 340.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene is sourced from PubChem (CID 135218322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).