(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol

C9H10BrClO2 — CID 130741211

IUPAC(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
SMILESCC(O)[C@H](O)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H10BrClO2/c1-5(12)9(13)7-4-6(11)2-3-8(7)10/h2-5,9,12-13H,1H3/t5?,9-/m0/s1
InChIKeyIBEDRQBDNNTRFG-YQFNKJDISA-N
MW265.53 g/mol
LogP2.52
Rot. Bonds2

About (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol

(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol (PubChem CID 130741211) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
PubChem CID130741211
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
SMILESCC(O)[C@H](O)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H10BrClO2/c1-5(12)9(13)7-4-6(11)2-3-8(7)10/h2-5,9,12-13H,1H3/t5?,9-/m0/s1
InChIKeyIBEDRQBDNNTRFG-YQFNKJDISA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-chlorophenyl)-hydroxymethyl]butanenitrile
CID 79127090
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
ethyl 2-[(2-bromo-5-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 66155697
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
CID 83158968
S-[3-(2-bromo-5-chlorophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823012
2-(2-bromo-5-chlorophenyl)propanenitrile
CID 130134968
1-bromo-4-chloro-2-(dimethoxymethyl)benzene
CID 66704681
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
CID 66155862
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262032
1-(2-bromo-5-chlorophenyl)-1-propoxypropan-2-one
CID 83226422

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol?
The IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol (CID 130741211) is (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol.
What is the SMILES notation for (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol?
The canonical SMILES for (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol is CC(O)[C@H](O)c1cc(Cl)ccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol?
The InChIKey is IBEDRQBDNNTRFG-YQFNKJDISA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-5(12)9(13)7-4-6(11)2-3-8(7)10/h2-5,9,12-13H,1H3/t5?,9-/m0/s1.
What are the key properties of (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol?
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol has a molecular weight of 265.53 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol is sourced from PubChem (CID 130741211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).