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

C25H36O2 — CID 71712434

IUPAC4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
SMILESCCCc1cc(C(CCC)(CCC)c2ccc(O)c(CCC)c2)ccc1O
InChIInChI=1S/C25H36O2/c1-5-9-19-17-21(11-13-23(19)26)25(15-7-3,16-8-4)22-12-14-24(27)20(18-22)10-6-2/h11-14,17-18,26-27H,5-10,15-16H2,1-4H3
InChIKeyXNMYHZHASZTRBR-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.89
Rot. Bonds10

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

4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol (PubChem CID 71712434) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
PubChem CID71712434
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
SMILESCCCc1cc(C(CCC)(CCC)c2ccc(O)c(CCC)c2)ccc1O
InChIInChI=1S/C25H36O2/c1-5-9-19-17-21(11-13-23(19)26)25(15-7-3,16-8-4)22-12-14-24(27)20(18-22)10-6-2/h11-14,17-18,26-27H,5-10,15-16H2,1-4H3
InChIKeyXNMYHZHASZTRBR-UHFFFAOYSA-N
XLogP6.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
2,2-bis(4-hydroxy-3-propylphenyl)propanoic acid
CID 139823282
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
CID 163710554
4-[bis(4-hydroxy-3-propylphenyl)methyl]benzene-1,2-diol
CID 67315319
4,6-dipropylbenzene-1,3-diol
CID 70496109
4-hydroxy-3-propylbenzaldehyde
CID 57447725
actinium;[(2S)-1-(4-hydroxy-3-propylphenyl)-3-oxobutan-2-yl]azanium
CID 59124069
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
CID 19835265
4-(4-fluorophenyl)-2-propylphenol
CID 22458869
4-(2-methylheptan-2-ylsulfanyl)-2-propylphenol
CID 173100970
4-[1-(4-hydroxy-3-propylphenyl)tetradecyl]-2-propylphenol
CID 172551030

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol?
The IUPAC name of 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol (CID 71712434) is 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol.
What is the SMILES notation for 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol?
The canonical SMILES for 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol is CCCc1cc(C(CCC)(CCC)c2ccc(O)c(CCC)c2)ccc1O.
What is the InChIKey of 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol?
The InChIKey is XNMYHZHASZTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-5-9-19-17-21(11-13-23(19)26)25(15-7-3,16-8-4)22-12-14-24(27)20(18-22)10-6-2/h11-14,17-18,26-27H,5-10,15-16H2,1-4H3.
What are the key properties of 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol?
4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol has a molecular weight of 368.56 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol is sourced from PubChem (CID 71712434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).