4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol

C15H20ClFO2 — CID 112653071

IUPAC4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(Cc2cccc(F)c2Cl)CCO1
InChIInChI=1S/C15H20ClFO2/c1-3-14(2)10-15(18,7-8-19-14)9-11-5-4-6-12(17)13(11)16/h4-6,18H,3,7-10H2,1-2H3
InChIKeyFVNXGCYCXSVWRQ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.73
Rot. Bonds3

About 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol

4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol (PubChem CID 112653071) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
PubChem CID112653071
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(Cc2cccc(F)c2Cl)CCO1
InChIInChI=1S/C15H20ClFO2/c1-3-14(2)10-15(18,7-8-19-14)9-11-5-4-6-12(17)13(11)16/h4-6,18H,3,7-10H2,1-2H3
InChIKeyFVNXGCYCXSVWRQ-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 106866348
4-(1-benzothiophen-3-ylmethyl)-2-ethyl-2-methyloxan-4-ol
CID 65149267
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 112653239
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961208
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 112653397

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol (CID 112653071) is 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol is CCC1(C)CC(O)(Cc2cccc(F)c2Cl)CCO1.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
The InChIKey is FVNXGCYCXSVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-3-14(2)10-15(18,7-8-19-14)9-11-5-4-6-12(17)13(11)16/h4-6,18H,3,7-10H2,1-2H3.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol?
4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol has a molecular weight of 286.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol is sourced from PubChem (CID 112653071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).