(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol

C12H15BrO3 — CID 61277701

IUPAC(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7H2,1H3
InChIKeyWFXFMHPXUBJYGQ-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.53
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol

(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol (PubChem CID 61277701) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
PubChem CID61277701
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7H2,1H3
InChIKeyWFXFMHPXUBJYGQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
4-[bromo-(2-bromo-4-methoxyphenyl)methyl]oxane
CID 62906753
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
3-[(2-bromo-4-methoxyphenyl)-chloromethyl]oxane
CID 63014030
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
2-bromo-1-[bromo(cyclobutyl)methyl]-4-methoxybenzene
CID 63443524

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol (CID 61277701) is (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol is COc1ccc(C(O)C2CCOC2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol?
The InChIKey is WFXFMHPXUBJYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol?
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol has a molecular weight of 287.15 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 61277701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).