2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol

C11H18O — CID 11971200

IUPAC2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol
SMILESCC(C)C1=CC=C(CCO)CC1
InChIInChI=1S/C11H18O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3
InChIKeyOFRCGWBLTNNKGZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds3

About 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol

2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol (PubChem CID 11971200) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol
PubChem CID11971200
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol
SMILESCC(C)C1=CC=C(CCO)CC1
InChIInChI=1S/C11H18O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3
InChIKeyOFRCGWBLTNNKGZ-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol?
The IUPAC name of 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol (CID 11971200) is 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol is CC(C)C1=CC=C(CCO)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol?
The InChIKey is OFRCGWBLTNNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol?
2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol is sourced from PubChem (CID 11971200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).