5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol

C16H18O2 — CID 174169154

IUPAC5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol
SMILESCCC1C=CC(O)=C(c2cccc(C)c2O)C=C1
InChIInChI=1S/C16H18O2/c1-3-12-7-9-13(15(17)10-8-12)14-6-4-5-11(2)16(14)18/h4-10,12,17-18H,3H2,1-2H3
InChIKeyGXAHFTBYIHABLO-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.12
Rot. Bonds2

About 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol

5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol (PubChem CID 174169154) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol
PubChem CID174169154
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol
SMILESCCC1C=CC(O)=C(c2cccc(C)c2O)C=C1
InChIInChI=1S/C16H18O2/c1-3-12-7-9-13(15(17)10-8-12)14-6-4-5-11(2)16(14)18/h4-10,12,17-18H,3H2,1-2H3
InChIKeyGXAHFTBYIHABLO-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol (CID 174169154) is 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol is CCC1C=CC(O)=C(c2cccc(C)c2O)C=C1.
What is the InChIKey of 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol?
The InChIKey is GXAHFTBYIHABLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-12-7-9-13(15(17)10-8-12)14-6-4-5-11(2)16(14)18/h4-10,12,17-18H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol?
5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol has a molecular weight of 242.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxy-3-methylphenyl)cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 174169154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).