1-bromo-6-ethylcyclohexa-2,4-dien-1-ol

C8H11BrO — CID 174381773

IUPAC1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1C=CC=CC1(O)Br
InChIInChI=1S/C8H11BrO/c1-2-7-5-3-4-6-8(7,9)10/h3-7,10H,2H2,1H3
InChIKeySSDZZSWATKMGOA-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.22
Rot. Bonds1

About 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol

1-bromo-6-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 174381773) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
PubChem CID174381773
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1C=CC=CC1(O)Br
InChIInChI=1S/C8H11BrO/c1-2-7-5-3-4-6-8(7,9)10/h3-7,10H,2H2,1H3
InChIKeySSDZZSWATKMGOA-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.22
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 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol (CID 174381773) is 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol is CCC1C=CC=CC1(O)Br.
What is the InChIKey of 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is SSDZZSWATKMGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c1-2-7-5-3-4-6-8(7,9)10/h3-7,10H,2H2,1H3.
What are the key properties of 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol?
1-bromo-6-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 203.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174381773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).