4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol

C17H18O2 — CID 10515117

IUPAC4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol
SMILESCC(C)C=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O2/c1-12(2)11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-12,18-19H,1-2H3
InChIKeyDDEWRRMILVWZOZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.19
Rot. Bonds3

About 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol

4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol (PubChem CID 10515117) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol
PubChem CID10515117
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol
SMILESCC(C)C=C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H18O2/c1-12(2)11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-12,18-19H,1-2H3
InChIKeyDDEWRRMILVWZOZ-UHFFFAOYSA-N
XLogP4.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol (CID 10515117) is 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol is CC(C)C=C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol?
The InChIKey is DDEWRRMILVWZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-12,18-19H,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol?
4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol has a molecular weight of 254.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-3-methylbut-1-enyl]phenol is sourced from PubChem (CID 10515117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).