[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol

C13H17BrO4 — CID 63936239

IUPAC[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OC1CCOCC1
InChIInChI=1S/C13H17BrO4/c1-16-12-7-9(8-15)6-11(14)13(12)18-10-2-4-17-5-3-10/h6-7,10,15H,2-5,8H2,1H3
InChIKeyHXRFYQISCHBELC-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.51
Rot. Bonds4

About [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol

[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol (PubChem CID 63936239) has the molecular formula C13H17BrO4 and a molecular weight of 317.18 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
PubChem CID63936239
Molecular FormulaC13H17BrO4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OC1CCOCC1
InChIInChI=1S/C13H17BrO4/c1-16-12-7-9(8-15)6-11(14)13(12)18-10-2-4-17-5-3-10/h6-7,10,15H,2-5,8H2,1H3
InChIKeyHXRFYQISCHBELC-UHFFFAOYSA-N
XLogP2.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,6-dibromo-4-(chloromethyl)phenoxy]oxane
CID 107745321
(3-bromo-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methanol
CID 114620145
N-[[3-bromo-5-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63557340
[3-chloro-5-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CID 63937215
3-[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]prop-2-enoic acid
CID 77013702
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689
2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol
CID 2992556
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
3-bromo-5-methoxy-4-(oxolan-3-yloxy)benzaldehyde
CID 63558544
1-[3-bromo-5-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107134312
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
1-bromo-5-(bromomethyl)-2-(3,4-dimethylcyclohexyl)oxy-3-methoxybenzene
CID 64738583

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol?
The IUPAC name of [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol (CID 63936239) is [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol?
The canonical SMILES for [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol is COc1cc(CO)cc(Br)c1OC1CCOCC1.
What is the InChIKey of [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol?
The InChIKey is HXRFYQISCHBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO4/c1-16-12-7-9(8-15)6-11(14)13(12)18-10-2-4-17-5-3-10/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol?
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol has a molecular weight of 317.18 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol is sourced from PubChem (CID 63936239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).