1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol

C9H8BrClO — CID 107957828

IUPAC1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C9H8BrClO/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5,12H,1-2H2
InChIKeyQMKIITXOVPOTPX-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.08
Rot. Bonds1

About 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol

1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol (PubChem CID 107957828) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol
PubChem CID107957828
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C9H8BrClO/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5,12H,1-2H2
InChIKeyQMKIITXOVPOTPX-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-methylphenyl)cyclopentan-1-ol
CID 163230979
1-(3-bromo-5-chlorophenyl)-2-ethylcyclopropan-1-ol
CID 107957835
1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
CID 117478635
3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol
CID 84807228
1-(5-bromo-3-pyridinyl)cyclohexan-1-ol
CID 121282621
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
CID 164896669
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
2-bromo-5-(1-hydroxycyclopropyl)phenol
CID 84792504
2-chloro-5-(1-hydroxycyclopropyl)phenol
CID 84769519
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol (CID 107957828) is 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol is OC1(c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol?
The InChIKey is QMKIITXOVPOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5,12H,1-2H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol?
1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol has a molecular weight of 247.52 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 107957828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).