[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol

C14H19BrO4 — CID 65162786

IUPAC[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCCC1CCCO1
InChIInChI=1S/C14H19BrO4/c1-17-13-8-10(9-16)7-12(15)14(13)19-6-4-11-3-2-5-18-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyRUVZOHBJPIVKOI-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.90
Rot. Bonds6

About [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol

[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol (PubChem CID 65162786) has the molecular formula C14H19BrO4 and a molecular weight of 331.21 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
PubChem CID65162786
Molecular FormulaC14H19BrO4
Molecular Weight331.21 g/mol
Exact Mass330.05
IUPAC Name[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(Br)c1OCCC1CCCO1
InChIInChI=1S/C14H19BrO4/c1-17-13-8-10(9-16)7-12(15)14(13)19-6-4-11-3-2-5-18-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyRUVZOHBJPIVKOI-UHFFFAOYSA-N
XLogP2.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methoxy-4-[2-[(2R)-oxolan-2-yl]ethoxy]benzonitrile
CID 100669070
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
CID 65162793
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43622329
N-[[3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43622408
[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162888
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
[3-bromo-5-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 79171963
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol (CID 65162786) is [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol is COc1cc(CO)cc(Br)c1OCCC1CCCO1.
What is the InChIKey of [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
The InChIKey is RUVZOHBJPIVKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO4/c1-17-13-8-10(9-16)7-12(15)14(13)19-6-4-11-3-2-5-18-11/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of [3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol?
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol has a molecular weight of 331.21 g/mol, XLogP of 2.90, 6 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-[2-(oxolan-2-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 65162786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).