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

C14H18ClFO2 — CID 115827775

IUPAC(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccc(Cl)cc2F)C1C
InChIInChI=1S/C14H18ClFO2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14,17H,1-3H3
InChIKeyFJEPPGILACKPRD-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.57
Rot. Bonds2

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

(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 115827775) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID115827775
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccc(Cl)cc2F)C1C
InChIInChI=1S/C14H18ClFO2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14,17H,1-3H3
InChIKeyFJEPPGILACKPRD-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
(2-fluoro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65158185
(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 105399546
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
CID 104546511
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 79746653
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115823700
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515
3-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 81050749

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 115827775) is (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2ccc(Cl)cc2F)C1C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is FJEPPGILACKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14,17H,1-3H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 272.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 115827775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).