2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol

C22H30O2 — CID 139833142

IUPAC2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol
SMILESCCCc1ccc(C(CCC)c2ccc(CCC)cc2O)c(O)c1
InChIInChI=1S/C22H30O2/c1-4-7-16-10-12-19(21(23)14-16)18(9-6-3)20-13-11-17(8-5-2)15-22(20)24/h10-15,18,23-24H,4-9H2,1-3H3
InChIKeySZECNLSUKJBWEM-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.93
Rot. Bonds8

About 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol

2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol (PubChem CID 139833142) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol
PubChem CID139833142
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol
SMILESCCCc1ccc(C(CCC)c2ccc(CCC)cc2O)c(O)c1
InChIInChI=1S/C22H30O2/c1-4-7-16-10-12-19(21(23)14-16)18(9-6-3)20-13-11-17(8-5-2)15-22(20)24/h10-15,18,23-24H,4-9H2,1-3H3
InChIKeySZECNLSUKJBWEM-UHFFFAOYSA-N
XLogP5.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
2-ethyl-5-propylphenol
CID 522454
4-[1-[2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]butyl]-6-[(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139708055
2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
CID 23019019
4-chloro-6-[1-(5-chloro-2,4-dihydroxyphenyl)butyl]benzene-1,3-diol
CID 22925962
2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
CID 23156036
2-methylsulfonyl-5-propylphenol
CID 174640128
4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
CID 22947162
2-(aminomethyl)-4-propylphenol
CID 12652118
1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
2-chloro-1-(difluoromethyl)-4-propylbenzene
CID 139607010

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol?
The IUPAC name of 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol (CID 139833142) is 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol?
The canonical SMILES for 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol is CCCc1ccc(C(CCC)c2ccc(CCC)cc2O)c(O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol?
The InChIKey is SZECNLSUKJBWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-4-7-16-10-12-19(21(23)14-16)18(9-6-3)20-13-11-17(8-5-2)15-22(20)24/h10-15,18,23-24H,4-9H2,1-3H3.
What are the key properties of 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol?
2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol has a molecular weight of 326.48 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol is sourced from PubChem (CID 139833142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).