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

C14H17BrClFO2 — CID 105399546

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cc(Cl)c(Br)cc2F)C1C
InChIInChI=1S/C14H17BrClFO2/c1-6-7(2)19-8(3)13(6)14(18)9-4-11(16)10(15)5-12(9)17/h4-8,13-14,18H,1-3H3
InChIKeyXDEXFDZSVLBYOM-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.33
Rot. Bonds2

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

(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 105399546) has the molecular formula C14H17BrClFO2 and a molecular weight of 351.64 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID105399546
Molecular FormulaC14H17BrClFO2
Molecular Weight351.64 g/mol
Exact Mass350.01
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cc(Cl)c(Br)cc2F)C1C
InChIInChI=1S/C14H17BrClFO2/c1-6-7(2)19-8(3)13(6)14(18)9-4-11(16)10(15)5-12(9)17/h4-8,13-14,18H,1-3H3
InChIKeyXDEXFDZSVLBYOM-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_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
3-bicyclo[3.1.0]hexanyl-(4-bromo-5-chloro-2-fluorophenyl)methanol
CID 105399358
2-[(4-bromo-5-chloro-2-fluorophenyl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 105399251
3-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 81050749
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181881
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 105399338
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 106274426
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
(3-bromo-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160656

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 105399546) is (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2cc(Cl)c(Br)cc2F)C1C.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is XDEXFDZSVLBYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFO2/c1-6-7(2)19-8(3)13(6)14(18)9-4-11(16)10(15)5-12(9)17/h4-8,13-14,18H,1-3H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(4-bromo-5-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-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 105399546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).