2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol

C12H15BrO2 — CID 151817566

IUPAC2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
SMILESOCCc1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C12H15BrO2/c13-12-7-11(15-8-9-1-2-9)4-3-10(12)5-6-14/h3-4,7,9,14H,1-2,5-6,8H2
InChIKeySBXWVVRPXKOIRI-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol

2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol (PubChem CID 151817566) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
PubChem CID151817566
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
SMILESOCCc1ccc(OCC2CC2)cc1Br
InChIInChI=1S/C12H15BrO2/c13-12-7-11(15-8-9-1-2-9)4-3-10(12)5-6-14/h3-4,7,9,14H,1-2,5-6,8H2
InChIKeySBXWVVRPXKOIRI-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
2-bromo-4-(cyclopentylmethoxy)benzonitrile
CID 107277070
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]ethanol
CID 117314647
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]-1-[5-tri(propan-2-yl)silyloxy-2-pyridinyl]ethanol
CID 67777123
2-[6-(piperidin-4-ylmethoxy)naphthalen-2-yl]ethanol
CID 170887467
1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene
CID 166449859
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol?
The IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol (CID 151817566) is 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol is OCCc1ccc(OCC2CC2)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol?
The InChIKey is SBXWVVRPXKOIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-12-7-11(15-8-9-1-2-9)4-3-10(12)5-6-14/h3-4,7,9,14H,1-2,5-6,8H2.
What are the key properties of 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol?
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol has a molecular weight of 271.15 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol is sourced from PubChem (CID 151817566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).