1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol

C14H19BrO3 — CID 103986427

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CC2CCOC2)c1
InChIInChI=1S/C14H19BrO3/c1-17-13-2-3-14(15)11(8-13)7-12(16)6-10-4-5-18-9-10/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyMAEPBOFMKVBLDN-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol

1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol (PubChem CID 103986427) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
PubChem CID103986427
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CC2CCOC2)c1
InChIInChI=1S/C14H19BrO3/c1-17-13-2-3-14(15)11(8-13)7-12(16)6-10-4-5-18-9-10/h2-3,8,10,12,16H,4-7,9H2,1H3
InChIKeyMAEPBOFMKVBLDN-UHFFFAOYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65326023
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
1-(2-bromo-5-methoxyphenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65325344
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol (CID 103986427) is 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol is COc1ccc(Br)c(CC(O)CC2CCOC2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol?
The InChIKey is MAEPBOFMKVBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-17-13-2-3-14(15)11(8-13)7-12(16)6-10-4-5-18-9-10/h2-3,8,10,12,16H,4-7,9H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol has a molecular weight of 315.21 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol is sourced from PubChem (CID 103986427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).