4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol

C15H18O2 — CID 152613688

IUPAC4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol
SMILESCC(C1=CCC(C)(O)C=C1)c1ccc(O)cc1
InChIInChI=1S/C15H18O2/c1-11(12-3-5-14(16)6-4-12)13-7-9-15(2,17)10-8-13/h3-9,11,16-17H,10H2,1-2H3
InChIKeyZABFPJOIJMEXMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.13
Rot. Bonds2

About 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol

4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol (PubChem CID 152613688) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol
PubChem CID152613688
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol
SMILESCC(C1=CCC(C)(O)C=C1)c1ccc(O)cc1
InChIInChI=1S/C15H18O2/c1-11(12-3-5-14(16)6-4-12)13-7-9-15(2,17)10-8-13/h3-9,11,16-17H,10H2,1-2H3
InChIKeyZABFPJOIJMEXMY-UHFFFAOYSA-N
XLogP3.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol?
The IUPAC name of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol (CID 152613688) is 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol is CC(C1=CCC(C)(O)C=C1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol?
The InChIKey is ZABFPJOIJMEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(12-3-5-14(16)6-4-12)13-7-9-15(2,17)10-8-13/h3-9,11,16-17H,10H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol?
4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol has a molecular weight of 230.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol is sourced from PubChem (CID 152613688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).