2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol

C13H17BrO3 — CID 117485134

IUPAC2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)CO)cc(Br)c1OC1CC1
InChIInChI=1S/C13H17BrO3/c1-8(7-15)9-5-11(14)13(12(6-9)16-2)17-10-3-4-10/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyYEHXLWRFAFNWIB-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol

2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol (PubChem CID 117485134) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
PubChem CID117485134
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(C)CO)cc(Br)c1OC1CC1
InChIInChI=1S/C13H17BrO3/c1-8(7-15)9-5-11(14)13(12(6-9)16-2)17-10-3-4-10/h5-6,8,10,15H,3-4,7H2,1-2H3
InChIKeyYEHXLWRFAFNWIB-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689
3-(3-bromo-4,5-dimethoxyphenyl)butanal
CID 117462993
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)butanal
CID 117498254
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol (CID 117485134) is 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol is COc1cc(C(C)CO)cc(Br)c1OC1CC1.
What is the InChIKey of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol?
The InChIKey is YEHXLWRFAFNWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-8(7-15)9-5-11(14)13(12(6-9)16-2)17-10-3-4-10/h5-6,8,10,15H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol?
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol has a molecular weight of 301.18 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117485134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).