7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one

C15H20O3 — CID 114090636

IUPAC7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)OCCOc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C15H20O3/c1-11(2)17-8-9-18-13-7-6-12-4-3-5-15(16)14(12)10-13/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyGXJUJXOMIUDNCQ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.01
Rot. Bonds5

About 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one

7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 114090636) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID114090636
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)OCCOc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C15H20O3/c1-11(2)17-8-9-18-13-7-6-12-4-3-5-15(16)14(12)10-13/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyGXJUJXOMIUDNCQ-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid
CID 70243662
7-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18973211
6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
CID 67979471
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114090592
[4-methyl-3-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxymethyl]phenyl] methanesulfonate
CID 159623550
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
7-[(5-bromo-2-iodophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 118573502
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803

Frequently Asked Questions

What is the IUPAC name of 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 114090636) is 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one is CC(C)OCCOc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GXJUJXOMIUDNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)17-8-9-18-13-7-6-12-4-3-5-15(16)14(12)10-13/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one?
7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 248.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 114090636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).