3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol

C14H22O2 — CID 163428750

IUPAC3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol
SMILESCC1=C(OC(C)(C)C2(C)CC2)C(O)CC=C1
InChIInChI=1S/C14H22O2/c1-10-6-5-7-11(15)12(10)16-13(2,3)14(4)8-9-14/h5-6,11,15H,7-9H2,1-4H3
InChIKeyAORUIEYWRGMBJS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds3

About 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol

3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol (PubChem CID 163428750) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol
PubChem CID163428750
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol
SMILESCC1=C(OC(C)(C)C2(C)CC2)C(O)CC=C1
InChIInChI=1S/C14H22O2/c1-10-6-5-7-11(15)12(10)16-13(2,3)14(4)8-9-14/h5-6,11,15H,7-9H2,1-4H3
InChIKeyAORUIEYWRGMBJS-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol (CID 163428750) is 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol is CC1=C(OC(C)(C)C2(C)CC2)C(O)CC=C1.
What is the InChIKey of 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol?
The InChIKey is AORUIEYWRGMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-6-5-7-11(15)12(10)16-13(2,3)14(4)8-9-14/h5-6,11,15H,7-9H2,1-4H3.
What are the key properties of 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol?
3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1-methylcyclopropyl)propan-2-yloxy]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163428750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).