4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol

C30H38O2 — CID 19356772

IUPAC4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol
SMILESCCCc1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2CCC)c1
InChIInChI=1S/C30H38O2/c1-7-10-21-18-25(31)14-16-27(21)29(3,4)23-12-9-13-24(20-23)30(5,6)28-17-15-26(32)19-22(28)11-8-2/h9,12-20,31-32H,7-8,10-11H2,1-6H3
InChIKeyRHMWQZLBGDDLLP-UHFFFAOYSA-N
MW430.63 g/mol
LogP7.65
Rot. Bonds8

About 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol

4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol (PubChem CID 19356772) has the molecular formula C30H38O2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol
PubChem CID19356772
Molecular FormulaC30H38O2
Molecular Weight430.63 g/mol
Exact Mass430.29
IUPAC Name4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol
SMILESCCCc1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2CCC)c1
InChIInChI=1S/C30H38O2/c1-7-10-21-18-25(31)14-16-27(21)29(3,4)23-12-9-13-24(20-23)30(5,6)28-17-15-26(32)19-22(28)11-8-2/h9,12-20,31-32H,7-8,10-11H2,1-6H3
InChIKeyRHMWQZLBGDDLLP-UHFFFAOYSA-N
XLogP7.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[3-[2-(4-hydroxy-2-pentylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-pentylphenol
CID 19356842
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277
3-decyl-4-[2-(2-decyl-4-hydroxyphenyl)butan-2-yl]phenol
CID 163939589
3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol
CID 19007893
2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-[2-[2-[3-[bis[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl]-4-hydroxyphenyl]propan-2-yl]phenol
CID 87721854
4-[1-[4-hydroxy-2-(methoxymethyl)phenyl]-1-phenylethyl]-3-(methoxymethyl)phenol
CID 139534791
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol
CID 66879504
4-[2-[4-[2-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3-(4-hydroxyphenyl)phenol
CID 159532417
3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol
CID 173287928
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
CID 139838635
3-phenyl-2-(2-phenylpropan-2-yl)-4-propylphenol
CID 66865698

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol (CID 19356772) is 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol is CCCc1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2CCC)c1.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol?
The InChIKey is RHMWQZLBGDDLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2/c1-7-10-21-18-25(31)14-16-27(21)29(3,4)23-12-9-13-24(20-23)30(5,6)28-17-15-26(32)19-22(28)11-8-2/h9,12-20,31-32H,7-8,10-11H2,1-6H3.
What are the key properties of 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol?
4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol has a molecular weight of 430.63 g/mol, XLogP of 7.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol is sourced from PubChem (CID 19356772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).