1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone

C14H19ClO3 — CID 82268179

IUPAC1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
SMILESCC(=O)c1cc(OC(C)C)c(OC(C)C)cc1Cl
InChIInChI=1S/C14H19ClO3/c1-8(2)17-13-6-11(10(5)16)12(15)7-14(13)18-9(3)4/h6-9H,1-5H3
InChIKeyJWYVEUBCXQLKDW-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone

1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone (PubChem CID 82268179) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
PubChem CID82268179
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
SMILESCC(=O)c1cc(OC(C)C)c(OC(C)C)cc1Cl
InChIInChI=1S/C14H19ClO3/c1-8(2)17-13-6-11(10(5)16)12(15)7-14(13)18-9(3)4/h6-9H,1-5H3
InChIKeyJWYVEUBCXQLKDW-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206
2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
CID 58801717
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone
CID 156530971
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
1-[2-chloro-4-(difluoromethoxy)-5-nitrophenyl]ethanone
CID 171006601
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone (CID 82268179) is 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone is CC(=O)c1cc(OC(C)C)c(OC(C)C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone?
The InChIKey is JWYVEUBCXQLKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-8(2)17-13-6-11(10(5)16)12(15)7-14(13)18-9(3)4/h6-9H,1-5H3.
What are the key properties of 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone?
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone has a molecular weight of 270.76 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 82268179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).