6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol

C10H15ClO — CID 71307734

IUPAC6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(Cl)(C(C)C)C(O)=C1
InChIInChI=1S/C10H15ClO/c1-7(2)10(11)5-4-8(3)6-9(10)12/h4,6-7,12H,5H2,1-3H3
InChIKeyIFKREUDEPSHDIL-UHFFFAOYSA-N
MW186.68 g/mol
LogP3.41
Rot. Bonds1

About 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol

6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol (PubChem CID 71307734) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
PubChem CID71307734
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(Cl)(C(C)C)C(O)=C1
InChIInChI=1S/C10H15ClO/c1-7(2)10(11)5-4-8(3)6-9(10)12/h4,6-7,12H,5H2,1-3H3
InChIKeyIFKREUDEPSHDIL-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol (CID 71307734) is 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol is CC1=CCC(Cl)(C(C)C)C(O)=C1.
What is the InChIKey of 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is IFKREUDEPSHDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO/c1-7(2)10(11)5-4-8(3)6-9(10)12/h4,6-7,12H,5H2,1-3H3.
What are the key properties of 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 186.68 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 71307734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).