(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol

C11H13BrO2 — CID 84709075

IUPAC(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
SMILESCc1cc(Br)c(OC2CC2)c(CO)c1
InChIInChI=1S/C11H13BrO2/c1-7-4-8(6-13)11(10(12)5-7)14-9-2-3-9/h4-5,9,13H,2-3,6H2,1H3
InChIKeyYMRFTFVKHJGEMH-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.79
Rot. Bonds3

About (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol

(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol (PubChem CID 84709075) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
PubChem CID84709075
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
SMILESCc1cc(Br)c(OC2CC2)c(CO)c1
InChIInChI=1S/C11H13BrO2/c1-7-4-8(6-13)11(10(12)5-7)14-9-2-3-9/h4-5,9,13H,2-3,6H2,1H3
InChIKeyYMRFTFVKHJGEMH-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
4-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480540
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-ol
CID 117455029
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-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol (CID 84709075) is (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol is Cc1cc(Br)c(OC2CC2)c(CO)c1.
What is the InChIKey of (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol?
The InChIKey is YMRFTFVKHJGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-7-4-8(6-13)11(10(12)5-7)14-9-2-3-9/h4-5,9,13H,2-3,6H2,1H3.
What are the key properties of (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol?
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol has a molecular weight of 257.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol is sourced from PubChem (CID 84709075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).