1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol

C14H17BrO2 — CID 117478635

IUPAC1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
SMILESOC1(c2cc(Br)cc(OCC3CCC3)c2)CC1
InChIInChI=1S/C14H17BrO2/c15-12-6-11(14(16)4-5-14)7-13(8-12)17-9-10-2-1-3-10/h6-8,10,16H,1-5,9H2
InChIKeyWEVKKOGRJLHENI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.61
Rot. Bonds4

About 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol

1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol (PubChem CID 117478635) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
PubChem CID117478635
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol
SMILESOC1(c2cc(Br)cc(OCC3CCC3)c2)CC1
InChIInChI=1S/C14H17BrO2/c15-12-6-11(14(16)4-5-14)7-13(8-12)17-9-10-2-1-3-10/h6-8,10,16H,1-5,9H2
InChIKeyWEVKKOGRJLHENI-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol (CID 117478635) is 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol is OC1(c2cc(Br)cc(OCC3CCC3)c2)CC1.
What is the InChIKey of 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol?
The InChIKey is WEVKKOGRJLHENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-12-6-11(14(16)4-5-14)7-13(8-12)17-9-10-2-1-3-10/h6-8,10,16H,1-5,9H2.
What are the key properties of 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol?
1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol has a molecular weight of 297.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(cyclobutylmethoxy)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117478635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).