(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

C7H9BrO2 — CID 167136179

IUPAC(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESOC[C@H]1C=C(Br)C=CC1O
InChIInChI=1S/C7H9BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,5,7,9-10H,4H2/t5-,7?/m1/s1
InChIKeyHABVMPGWGIPDPX-FOUAAFFMSA-N
MW205.05 g/mol
LogP0.80
Rot. Bonds1

About (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 167136179) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID167136179
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESOC[C@H]1C=C(Br)C=CC1O
InChIInChI=1S/C7H9BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,5,7,9-10H,4H2/t5-,7?/m1/s1
InChIKeyHABVMPGWGIPDPX-FOUAAFFMSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (CID 167136179) is (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is OC[C@H]1C=C(Br)C=CC1O.
What is the InChIKey of (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is HABVMPGWGIPDPX-FOUAAFFMSA-N. The full InChI is InChI=1S/C7H9BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,5,7,9-10H,4H2/t5-,7?/m1/s1.
What are the key properties of (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 205.05 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 167136179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).