1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol

C13H15BrO2 — CID 117455029

IUPAC1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
SMILESCc1cc(Br)c(OC2CC2)c(C2(O)CC2)c1
InChIInChI=1S/C13H15BrO2/c1-8-6-10(13(15)4-5-13)12(11(14)7-8)16-9-2-3-9/h6-7,9,15H,2-5H2,1H3
InChIKeyFVUNJROLRAELCA-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol

1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol (PubChem CID 117455029) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
PubChem CID117455029
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
SMILESCc1cc(Br)c(OC2CC2)c(C2(O)CC2)c1
InChIInChI=1S/C13H15BrO2/c1-8-6-10(13(15)4-5-13)12(11(14)7-8)16-9-2-3-9/h6-7,9,15H,2-5H2,1H3
InChIKeyFVUNJROLRAELCA-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480358
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butanal
CID 117478598
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117493897
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol (CID 117455029) is 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol is Cc1cc(Br)c(OC2CC2)c(C2(O)CC2)c1.
What is the InChIKey of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol?
The InChIKey is FVUNJROLRAELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-8-6-10(13(15)4-5-13)12(11(14)7-8)16-9-2-3-9/h6-7,9,15H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol?
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol has a molecular weight of 283.16 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117455029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).