1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one

C16H22F2O3 — CID 142284690

IUPAC1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
SMILESCCC(C)Oc1cc(C(=O)CC(C)C)ccc1OC(F)F
InChIInChI=1S/C16H22F2O3/c1-5-11(4)20-15-9-12(13(19)8-10(2)3)6-7-14(15)21-16(17)18/h6-7,9-11,16H,5,8H2,1-4H3
InChIKeyZFIMPNLSUJRVID-UHFFFAOYSA-N
MW300.34 g/mol
LogP4.69
Rot. Bonds8

About 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one

1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one (PubChem CID 142284690) has the molecular formula C16H22F2O3 and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
PubChem CID142284690
Molecular FormulaC16H22F2O3
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
SMILESCCC(C)Oc1cc(C(=O)CC(C)C)ccc1OC(F)F
InChIInChI=1S/C16H22F2O3/c1-5-11(4)20-15-9-12(13(19)8-10(2)3)6-7-14(15)21-16(17)18/h6-7,9-11,16H,5,8H2,1-4H3
InChIKeyZFIMPNLSUJRVID-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-3-ethoxybenzamide
CID 6457722
1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
CID 118813012
1-[3-(difluoromethoxy)-4-iodophenyl]propan-1-one
CID 134622430
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
CID 23204780
1-(3-amino-4-butoxyphenyl)-3-methylbutan-1-one
CID 82152529
1-[4-(difluoromethoxy)phenyl]-3-methylbutan-1-one;pentan-2-one
CID 160941742
3-[3,4-bis(difluoromethoxy)phenyl]but-2-enoic acid
CID 66604449
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161769
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-one
CID 146009340
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743

Frequently Asked Questions

What is the IUPAC name of 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one (CID 142284690) is 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one is CCC(C)Oc1cc(C(=O)CC(C)C)ccc1OC(F)F.
What is the InChIKey of 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one?
The InChIKey is ZFIMPNLSUJRVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O3/c1-5-11(4)20-15-9-12(13(19)8-10(2)3)6-7-14(15)21-16(17)18/h6-7,9-11,16H,5,8H2,1-4H3.
What are the key properties of 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one?
1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one has a molecular weight of 300.34 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one is sourced from PubChem (CID 142284690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).