(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

C15H21BrO3 — CID 65160656

IUPAC(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2C(C)OC(C)C2C)cc1Br
InChIInChI=1S/C15H21BrO3/c1-8-9(2)19-10(3)14(8)15(17)11-5-6-13(18-4)12(16)7-11/h5-10,14-15,17H,1-4H3
InChIKeyDLAZZYWYUQLSNX-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.55
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 65160656) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID65160656
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2C(C)OC(C)C2C)cc1Br
InChIInChI=1S/C15H21BrO3/c1-8-9(2)19-10(3)14(8)15(17)11-5-6-13(18-4)12(16)7-11/h5-10,14-15,17H,1-4H3
InChIKeyDLAZZYWYUQLSNX-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330381
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
2-[2-(3-bromo-4-methoxyphenyl)propyl]-3-methyloxirane
CID 83926146
(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160020
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
(2-fluoro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65158185
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156222
1-(3-bromo-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79190451
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160016
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 65160656) is (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is COc1ccc(C(O)C2C(C)OC(C)C2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is DLAZZYWYUQLSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-8-9(2)19-10(3)14(8)15(17)11-5-6-13(18-4)12(16)7-11/h5-10,14-15,17H,1-4H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 329.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 65160656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).