(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone

C14H17FO4 — CID 79759374

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1cc(F)c(C(=O)C2CCOC2C)cc1OC
InChIInChI=1S/C14H17FO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h6-9H,4-5H2,1-3H3
InChIKeyRBHJKRSZUVFQQR-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.45
Rot. Bonds4

About (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone

(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 79759374) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
PubChem CID79759374
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1cc(F)c(C(=O)C2CCOC2C)cc1OC
InChIInChI=1S/C14H17FO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h6-9H,4-5H2,1-3H3
InChIKeyRBHJKRSZUVFQQR-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
(3,4-difluorophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758215
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770
3-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79763359
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79758228
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone (CID 79759374) is (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone is COc1cc(F)c(C(=O)C2CCOC2C)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is RBHJKRSZUVFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-8-9(4-5-19-8)14(16)10-6-12(17-2)13(18-3)7-11(10)15/h6-9H,4-5H2,1-3H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone?
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 268.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79759374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).