2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol

C103H122O12 — CID 158390497

IUPAC2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol
SMILESCC(C)(C)c1ccc(OCCc2ccccc2O)cc1.CC(C)c1ccc(OCCc2ccccc2O)cc1.CCC(C)(C)c1ccc(OCCc2ccccc2O)cc1.CCCc1ccc(OCCc2ccccc2O)cc1.CCc1ccc(OCCc2ccccc2O)cc1.CCc1ccc(OCCc2ccccc2O)cc1
InChIInChI=1S/C19H24O2.C18H22O2.2C17H20O2.2C16H18O2/c1-4-19(2,3)16-9-11-17(12-10-16)21-14-13-15-7-5-6-8-18(15)20;1-18(2,3)15-8-10-16(11-9-15)20-13-12-14-6-4-5-7-17(14)19;1-13(2)14-7-9-16(10-8-14)19-12-11-15-5-3-4-6-17(15)18;1-2-5-14-8-10-16(11-9-14)19-13-12-15-6-3-4-7-17(15)18;2*1-2-13-7-9-15(10-8-13)18-12-11-14-5-3-4-6-16(14)17/h5-12,20H,4,13-14H2,1-3H3;4-11,19H,12-13H2,1-3H3;3-10,13,18H,11-12H2,1-2H3;3-4,6-11,18H,2,5,12-13H2,1H3;2*3-10,17H,2,11-12H2,1H3
InChIKeyGWXCPLOGKBSWIJ-UHFFFAOYSA-N
MW1552.10 g/mol
LogP24.27
Rot. Bonds31

About 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol

2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol (PubChem CID 158390497) has the molecular formula C103H122O12 and a molecular weight of 1552.10 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol
PubChem CID158390497
Molecular FormulaC103H122O12
Molecular Weight1552.10 g/mol
Exact Mass1550.89
IUPAC Name2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol
SMILESCC(C)(C)c1ccc(OCCc2ccccc2O)cc1.CC(C)c1ccc(OCCc2ccccc2O)cc1.CCC(C)(C)c1ccc(OCCc2ccccc2O)cc1.CCCc1ccc(OCCc2ccccc2O)cc1.CCc1ccc(OCCc2ccccc2O)cc1.CCc1ccc(OCCc2ccccc2O)cc1
InChIInChI=1S/C19H24O2.C18H22O2.2C17H20O2.2C16H18O2/c1-4-19(2,3)16-9-11-17(12-10-16)21-14-13-15-7-5-6-8-18(15)20;1-18(2,3)15-8-10-16(11-9-15)20-13-12-14-6-4-5-7-17(14)19;1-13(2)14-7-9-16(10-8-14)19-12-11-15-5-3-4-6-17(15)18;1-2-5-14-8-10-16(11-9-14)19-13-12-15-6-3-4-7-17(15)18;2*1-2-13-7-9-15(10-8-13)18-12-11-14-5-3-4-6-16(14)17/h5-12,20H,4,13-14H2,1-3H3;4-11,19H,12-13H2,1-3H3;3-10,13,18H,11-12H2,1-2H3;3-4,6-11,18H,2,5,12-13H2,1H3;2*3-10,17H,2,11-12H2,1H3
InChIKeyGWXCPLOGKBSWIJ-UHFFFAOYSA-N
XLogP24.27
TPSA176.76 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001552.10
LogP ≤ 524.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol with MolForge

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Related Compounds

1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-tert-butyl-4-(2-methylpropyl)benzene;cumene;3-methylbutoxybenzene;3-methylbutylbenzene;1-methyl-4-(2-methylpropyl)benzene;bis(1-methyl-4-propan-2-ylbenzene);2-methylpropylbenzene;2-[4-(2-methylpropyl)phenyl]propan-2-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 158875726
1,3-bis(4-propan-2-ylphenyl)propan-1-ol;1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1,3-diphenylpropan-1-ol;1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-1-ol;3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-ol;1-phenyl-3-(4-propan-2-ylphenyl)propan-1-ol;3-phenyl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 158011051
ethane;1-ethyl-4-methylbenzene;1-ethyl-2-propylbenzene;methane;1-propan-2-yl-4-propylbenzene
CID 176686204
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
5-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
CID 102215310
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
CID 66259588
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol?
The IUPAC name of 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol (CID 158390497) is 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol.
What is the SMILES notation for 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol?
The canonical SMILES for 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol is CC(C)(C)c1ccc(OCCc2ccccc2O)cc1.CC(C)c1ccc(OCCc2ccccc2O)cc1.CCC(C)(C)c1ccc(OCCc2ccccc2O)cc1.CCCc1ccc(OCCc2ccccc2O)cc1.CCc1ccc(OCCc2ccccc2O)cc1.CCc1ccc(OCCc2ccccc2O)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol?
The InChIKey is GWXCPLOGKBSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2.C18H22O2.2C17H20O2.2C16H18O2/c1-4-19(2,3)16-9-11-17(12-10-16)21-14-13-15-7-5-6-8-18(15)20;1-18(2,3)15-8-10-16(11-9-15)20-13-12-14-6-4-5-7-17(14)19;1-13(2)14-7-9-16(10-8-14)19-12-11-15-5-3-4-6-17(15)18;1-2-5-14-8-10-16(11-9-14)19-13-12-15-6-3-4-7-17(15)18;2*1-2-13-7-9-15(10-8-13)18-12-11-14-5-3-4-6-16(14)17/h5-12,20H,4,13-14H2,1-3H3;4-11,19H,12-13H2,1-3H3;3-10,13,18H,11-12H2,1-2H3;3-4,6-11,18H,2,5,12-13H2,1H3;2*3-10,17H,2,11-12H2,1H3.
What are the key properties of 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol?
2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol has a molecular weight of 1552.10 g/mol, XLogP of 24.27, 31 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenoxy)ethyl]phenol;bis(2-[2-(4-ethylphenoxy)ethyl]phenol);2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]phenol;2-[2-(4-propan-2-ylphenoxy)ethyl]phenol;2-[2-(4-propylphenoxy)ethyl]phenol is sourced from PubChem (CID 158390497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).