[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol

C15H18O — CID 141067004

IUPAC[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
SMILESCC1=CC(C)=C(C)C1c1ccccc1CO
InChIInChI=1S/C15H18O/c1-10-8-11(2)15(12(10)3)14-7-5-4-6-13(14)9-16/h4-8,15-16H,9H2,1-3H3
InChIKeyBYOJMHHUABXQSJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.56
Rot. Bonds2

About [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol

[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol (PubChem CID 141067004) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
PubChem CID141067004
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
SMILESCC1=CC(C)=C(C)C1c1ccccc1CO
InChIInChI=1S/C15H18O/c1-10-8-11(2)15(12(10)3)14-7-5-4-6-13(14)9-16/h4-8,15-16H,9H2,1-3H3
InChIKeyBYOJMHHUABXQSJ-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
The IUPAC name of [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol (CID 141067004) is [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
The canonical SMILES for [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol is CC1=CC(C)=C(C)C1c1ccccc1CO.
What is the InChIKey of [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
The InChIKey is BYOJMHHUABXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-10-8-11(2)15(12(10)3)14-7-5-4-6-13(14)9-16/h4-8,15-16H,9H2,1-3H3.
What are the key properties of [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
[2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol has a molecular weight of 214.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol is sourced from PubChem (CID 141067004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).