[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate

C16H20F2O5 — CID 89485014

IUPAC[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C16H20F2O5/c1-10(2)22-16(19)21-9-12-5-6-13(23-15(17)18)14(7-12)20-8-11-3-4-11/h5-7,10-11,15H,3-4,8-9H2,1-2H3
InChIKeyVWUQMERBYXWCPK-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.14
Rot. Bonds8

About [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate

[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate (PubChem CID 89485014) has the molecular formula C16H20F2O5 and a molecular weight of 330.33 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
PubChem CID89485014
Molecular FormulaC16H20F2O5
Molecular Weight330.33 g/mol
Exact Mass330.13
IUPAC Name[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCc1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C16H20F2O5/c1-10(2)22-16(19)21-9-12-5-6-13(23-15(17)18)14(7-12)20-8-11-3-4-11/h5-7,10-11,15H,3-4,8-9H2,1-2H3
InChIKeyVWUQMERBYXWCPK-UHFFFAOYSA-N
XLogP4.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-hydroxypyridin-1-ium-4-yl)ethyl] [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl carbonate
CID 89460016
ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
CID 169091022
methyl 2-[[3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl]amino]acetate
CID 175497729
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
1-[(2R)-2-(aminomethyl)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 157023347
N-[5-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2-pyridinyl]acetamide
CID 169091031
4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 169091004
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
methyl 2-[[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]amino]-2-oxoacetate
CID 54502547
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
5-[(1S)-1-aminoethyl]-N-(cyclopropylmethoxy)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 141463914

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate?
The IUPAC name of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate (CID 89485014) is [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate.
What is the SMILES notation for [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate?
The canonical SMILES for [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate is CC(C)OC(=O)OCc1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate?
The InChIKey is VWUQMERBYXWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O5/c1-10(2)22-16(19)21-9-12-5-6-13(23-15(17)18)14(7-12)20-8-11-3-4-11/h5-7,10-11,15H,3-4,8-9H2,1-2H3.
What are the key properties of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate?
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate has a molecular weight of 330.33 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate is sourced from PubChem (CID 89485014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).