(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol

C13H15BrO — CID 134964329

IUPAC(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol
SMILESO[C@H]1CCCC/C1=C\c1ccc(Br)cc1
InChIInChI=1S/C13H15BrO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9,13,15H,1-4H2/b11-9+/t13-/m0/s1
InChIKeyHSZLVOIANBGAMN-STRFDMGBSA-N
MW267.17 g/mol
LogP3.77
Rot. Bonds1

About (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol

(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol (PubChem CID 134964329) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol
PubChem CID134964329
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol
SMILESO[C@H]1CCCC/C1=C\c1ccc(Br)cc1
InChIInChI=1S/C13H15BrO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9,13,15H,1-4H2/b11-9+/t13-/m0/s1
InChIKeyHSZLVOIANBGAMN-STRFDMGBSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol?
The IUPAC name of (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol (CID 134964329) is (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol.
What is the SMILES notation for (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol?
The canonical SMILES for (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol is O[C@H]1CCCC/C1=C\c1ccc(Br)cc1.
What is the InChIKey of (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol?
The InChIKey is HSZLVOIANBGAMN-STRFDMGBSA-N. The full InChI is InChI=1S/C13H15BrO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9,13,15H,1-4H2/b11-9+/t13-/m0/s1.
What are the key properties of (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol?
(1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol has a molecular weight of 267.17 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E)-2-[(4-bromophenyl)methylidene]cyclohexan-1-ol is sourced from PubChem (CID 134964329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).