(1S)-3-bromocyclohexa-2,4-dien-1-ol

C6H7BrO — CID 71662885

IUPAC(1S)-3-bromocyclohexa-2,4-dien-1-ol
SMILESO[C@@H]1C=C(Br)C=CC1
InChIInChI=1S/C6H7BrO/c7-5-2-1-3-6(8)4-5/h1-2,4,6,8H,3H2/t6-/m0/s1
InChIKeyGFGYJYJQUSPSNE-LURJTMIESA-N
MW175.03 g/mol
LogP1.59
Rot. Bonds

About (1S)-3-bromocyclohexa-2,4-dien-1-ol

(1S)-3-bromocyclohexa-2,4-dien-1-ol (PubChem CID 71662885) has the molecular formula C6H7BrO and a molecular weight of 175.03 g/mol. Its IUPAC name is (1S)-3-bromocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-3-bromocyclohexa-2,4-dien-1-ol
PubChem CID71662885
Molecular FormulaC6H7BrO
Molecular Weight175.03 g/mol
Exact Mass173.97
IUPAC Name(1S)-3-bromocyclohexa-2,4-dien-1-ol
SMILESO[C@@H]1C=C(Br)C=CC1
InChIInChI=1S/C6H7BrO/c7-5-2-1-3-6(8)4-5/h1-2,4,6,8H,3H2/t6-/m0/s1
InChIKeyGFGYJYJQUSPSNE-LURJTMIESA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-bromocyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S)-3-bromocyclohexa-2,4-dien-1-ol (CID 71662885) is (1S)-3-bromocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S)-3-bromocyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S)-3-bromocyclohexa-2,4-dien-1-ol is O[C@@H]1C=C(Br)C=CC1.
What is the InChIKey of (1S)-3-bromocyclohexa-2,4-dien-1-ol?
The InChIKey is GFGYJYJQUSPSNE-LURJTMIESA-N. The full InChI is InChI=1S/C6H7BrO/c7-5-2-1-3-6(8)4-5/h1-2,4,6,8H,3H2/t6-/m0/s1.
What are the key properties of (1S)-3-bromocyclohexa-2,4-dien-1-ol?
(1S)-3-bromocyclohexa-2,4-dien-1-ol has a molecular weight of 175.03 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-bromocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 71662885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).