2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol

C21H24O2 — CID 169239217

IUPAC2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol
SMILESC=C(C)c1ccc(C(=C)C(CC)c2ccc(C)cc2O)c(O)c1
InChIInChI=1S/C21H24O2/c1-6-17(19-9-7-14(4)11-20(19)22)15(5)18-10-8-16(13(2)3)12-21(18)23/h7-12,17,22-23H,2,5-6H2,1,3-4H3
InChIKeySVNPLXIQINKUEQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.65
Rot. Bonds5

About 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol

2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol (PubChem CID 169239217) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol
PubChem CID169239217
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol
SMILESC=C(C)c1ccc(C(=C)C(CC)c2ccc(C)cc2O)c(O)c1
InChIInChI=1S/C21H24O2/c1-6-17(19-9-7-14(4)11-20(19)22)15(5)18-10-8-16(13(2)3)12-21(18)23/h7-12,17,22-23H,2,5-6H2,1,3-4H3
InChIKeySVNPLXIQINKUEQ-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-pentan-3-ylphenol
CID 67240040
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
2-(1-fluorobutyl)-5-methylphenol
CID 90020134
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
2-[(Z)-but-2-en-2-yl]-5-methylphenol
CID 22825363
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977725
decan-1-ol;5-methyl-2-propan-2-ylphenol
CID 158013264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol?
The IUPAC name of 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol (CID 169239217) is 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol is C=C(C)c1ccc(C(=C)C(CC)c2ccc(C)cc2O)c(O)c1.
What is the InChIKey of 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol?
The InChIKey is SVNPLXIQINKUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-6-17(19-9-7-14(4)11-20(19)22)15(5)18-10-8-16(13(2)3)12-21(18)23/h7-12,17,22-23H,2,5-6H2,1,3-4H3.
What are the key properties of 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol?
2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol has a molecular weight of 308.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-4-prop-1-en-2-ylphenyl)pent-1-en-3-yl]-5-methylphenol is sourced from PubChem (CID 169239217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).