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

C13H17BrO2 — CID 117459038

IUPAC2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
SMILESCc1cc(Br)c(OC2CC2)c(C(C)CO)c1
InChIInChI=1S/C13H17BrO2/c1-8-5-11(9(2)7-15)13(12(14)6-8)16-10-3-4-10/h5-6,9-10,15H,3-4,7H2,1-2H3
InChIKeyGVWOVUXMVFEIRZ-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.39
Rot. Bonds4

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

2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol (PubChem CID 117459038) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
PubChem CID117459038
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
SMILESCc1cc(Br)c(OC2CC2)c(C(C)CO)c1
InChIInChI=1S/C13H17BrO2/c1-8-5-11(9(2)7-15)13(12(14)6-8)16-10-3-4-10/h5-6,9-10,15H,3-4,7H2,1-2H3
InChIKeyGVWOVUXMVFEIRZ-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480358
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butanal
CID 117478598
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
CID 117485134
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
CID 117455029
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117387789
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol (CID 117459038) is 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol is Cc1cc(Br)c(OC2CC2)c(C(C)CO)c1.
What is the InChIKey of 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol?
The InChIKey is GVWOVUXMVFEIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-8-5-11(9(2)7-15)13(12(14)6-8)16-10-3-4-10/h5-6,9-10,15H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol?
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 117459038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).