(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium

C16H11BrCrO4 — CID 10873031

IUPAC(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
SMILESO[C@@H](c1ccccc1)c1ccc(Br)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H11BrO.3CO.Cr/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;3*1-2;/h1-9,13,15H;;;;/t13-;;;;/m0..../s1
InChIKeyGSMDNMHVBOHOPB-AHJYMZSGSA-N
MW399.16 g/mol
LogP3.42
Rot. Bonds2

About (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium

(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium (PubChem CID 10873031) has the molecular formula C16H11BrCrO4 and a molecular weight of 399.16 g/mol. Its IUPAC name is (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium.

Molecular Properties

Compound Name(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
PubChem CID10873031
Molecular FormulaC16H11BrCrO4
Molecular Weight399.16 g/mol
Exact Mass397.92
IUPAC Name(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
SMILESO[C@@H](c1ccccc1)c1ccc(Br)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H11BrO.3CO.Cr/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;3*1-2;/h1-9,13,15H;;;;/t13-;;;;/m0..../s1
InChIKeyGSMDNMHVBOHOPB-AHJYMZSGSA-N
XLogP3.42
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(S)-(4-bromophenyl)-phenylmethanol
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(4-bromophenyl)-(2-chlorophenyl)methanol
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(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
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(5-bromo-2-pyridinyl)-phenylmethanol
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3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol
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CID 131667546

Frequently Asked Questions

What is the IUPAC name of (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium?
The IUPAC name of (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium (CID 10873031) is (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium.
What is the SMILES notation for (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium?
The canonical SMILES for (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium is O[C@@H](c1ccccc1)c1ccc(Br)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium?
The InChIKey is GSMDNMHVBOHOPB-AHJYMZSGSA-N. The full InChI is InChI=1S/C13H11BrO.3CO.Cr/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;3*1-2;/h1-9,13,15H;;;;/t13-;;;;/m0..../s1.
What are the key properties of (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium?
(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium has a molecular weight of 399.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium is sourced from PubChem (CID 10873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).