[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate

C15H11ClF2O4 — CID 141248603

IUPAC[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate
SMILESO=C(O)OCc1ccc(OC(F)F)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H11ClF2O4/c16-11-3-1-2-10(7-11)12-6-9(8-21-15(19)20)4-5-13(12)22-14(17)18/h1-7,14H,8H2,(H,19,20)
InChIKeyVVMZTROXFZLZKX-UHFFFAOYSA-N
MW328.70 g/mol
LogP4.80
Rot. Bonds5

About [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate

[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate (PubChem CID 141248603) has the molecular formula C15H11ClF2O4 and a molecular weight of 328.70 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate
PubChem CID141248603
Molecular FormulaC15H11ClF2O4
Molecular Weight328.70 g/mol
Exact Mass328.03
IUPAC Name[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate
SMILESO=C(O)OCc1ccc(OC(F)F)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H11ClF2O4/c16-11-3-1-2-10(7-11)12-6-9(8-21-15(19)20)4-5-13(12)22-14(17)18/h1-7,14H,8H2,(H,19,20)
InChIKeyVVMZTROXFZLZKX-UHFFFAOYSA-N
XLogP4.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.70
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
3-[2-(difluoromethoxy)-5-hydroxyphenyl]benzamide
CID 118446648
[4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)-2-fluorophenyl]methyl]phenyl]urea
CID 69003911
3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
CID 126715220
3-amino-3-[5-chloro-2-(difluoromethoxy)phenyl]propanoic acid
CID 170872496
3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
CID 126731000
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-[(2-amino-2-oxoethyl)-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440793
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate?
The IUPAC name of [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate (CID 141248603) is [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate.
What is the SMILES notation for [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate?
The canonical SMILES for [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate is O=C(O)OCc1ccc(OC(F)F)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate?
The InChIKey is VVMZTROXFZLZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O4/c16-11-3-1-2-10(7-11)12-6-9(8-21-15(19)20)4-5-13(12)22-14(17)18/h1-7,14H,8H2,(H,19,20).
What are the key properties of [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate?
[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate has a molecular weight of 328.70 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl hydrogen carbonate is sourced from PubChem (CID 141248603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).