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

C14H17BrClFO2 — CID 106765094

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccc(Br)c(Cl)c2F)C1C
InChIInChI=1S/C14H17BrClFO2/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)12(16)13(9)17/h4-8,11,14,18H,1-3H3
InChIKeyUEAPPBOLSJGRRM-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.33
Rot. Bonds2

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

(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 106765094) has the molecular formula C14H17BrClFO2 and a molecular weight of 351.64 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID106765094
Molecular FormulaC14H17BrClFO2
Molecular Weight351.64 g/mol
Exact Mass350.01
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccc(Br)c(Cl)c2F)C1C
InChIInChI=1S/C14H17BrClFO2/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)12(16)13(9)17/h4-8,11,14,18H,1-3H3
InChIKeyUEAPPBOLSJGRRM-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764578
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 105399546
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 106274426
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 106762057
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 106765094) is (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2ccc(Br)c(Cl)c2F)C1C.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is UEAPPBOLSJGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFO2/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)12(16)13(9)17/h4-8,11,14,18H,1-3H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 351.64 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 106765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).