3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene

C33H36O4 — CID 141328728

IUPAC3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(OC(C)C)c(-c3ccc(OC)cc3)c2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C33H36O4/c1-6-22-36-29-16-8-24(9-17-29)30-20-21-31(37-23(3)4)33(26-10-14-27(34-5)15-11-26)32(30)25-12-18-28(19-13-25)35-7-2/h8-21,23H,6-7,22H2,1-5H3
InChIKeyGUJXMNFFGQEGNR-UHFFFAOYSA-N
MW496.65 g/mol
LogP8.67
Rot. Bonds11

About 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene

3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene (PubChem CID 141328728) has the molecular formula C33H36O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene
PubChem CID141328728
Molecular FormulaC33H36O4
Molecular Weight496.65 g/mol
Exact Mass496.26
IUPAC Name3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(OC(C)C)c(-c3ccc(OC)cc3)c2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C33H36O4/c1-6-22-36-29-16-8-24(9-17-29)30-20-21-31(37-23(3)4)33(26-10-14-27(34-5)15-11-26)32(30)25-12-18-28(19-13-25)35-7-2/h8-21,23H,6-7,22H2,1-5H3
InChIKeyGUJXMNFFGQEGNR-UHFFFAOYSA-N
XLogP8.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
CID 173362856
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene
CID 90128789
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2,7-diethoxy-1,3,6,8-tetrakis(4-methoxyphenyl)pyrene
CID 163210798
1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene
CID 159551358
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
1-[2-[4-[2-(4-methoxyphenyl)-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine
CID 70102098
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene?
The IUPAC name of 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene (CID 141328728) is 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(OC(C)C)c(-c3ccc(OC)cc3)c2-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene?
The InChIKey is GUJXMNFFGQEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O4/c1-6-22-36-29-16-8-24(9-17-29)30-20-21-31(37-23(3)4)33(26-10-14-27(34-5)15-11-26)32(30)25-12-18-28(19-13-25)35-7-2/h8-21,23H,6-7,22H2,1-5H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene?
3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene has a molecular weight of 496.65 g/mol, XLogP of 8.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 141328728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).