1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone

C18H24O3 — CID 156530971

IUPAC1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone
SMILESCC(=O)c1cc(OC(C)C)c2c(c1OC(C)C)=CCCC=2
InChIInChI=1S/C18H24O3/c1-11(2)20-17-10-16(13(5)19)18(21-12(3)4)15-9-7-6-8-14(15)17/h8-12H,6-7H2,1-5H3
InChIKeyQRTIBEOGCFSVOL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.82
Rot. Bonds5

About 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone

1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone (PubChem CID 156530971) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone
PubChem CID156530971
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone
SMILESCC(=O)c1cc(OC(C)C)c2c(c1OC(C)C)=CCCC=2
InChIInChI=1S/C18H24O3/c1-11(2)20-17-10-16(13(5)19)18(21-12(3)4)15-9-7-6-8-14(15)17/h8-12H,6-7H2,1-5H3
InChIKeyQRTIBEOGCFSVOL-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
1-[6-hydroxy-3-methoxy-2,4-di(propan-2-yloxy)phenyl]ethanone
CID 15345468
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-(3,5-dihydroxy-4-propan-2-yloxyphenyl)ethanone
CID 15326154
2-bromo-1-[1,4-di(propan-2-yloxy)naphthalen-2-yl]ethanone
CID 156502627
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
CID 164895831
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
CID 89047150
CID 89047150
1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
CID 153246357

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone (CID 156530971) is 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone is CC(=O)c1cc(OC(C)C)c2c(c1OC(C)C)=CCCC=2.
What is the InChIKey of 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone?
The InChIKey is QRTIBEOGCFSVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-11(2)20-17-10-16(13(5)19)18(21-12(3)4)15-9-7-6-8-14(15)17/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone?
1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-di(propan-2-yloxy)-6,7-dihydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 156530971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).