4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one

C16H22O2 — CID 158325360

IUPAC4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCCCCCOc1ccc2c(c1)CC(=O)CC2C
InChIInChI=1S/C16H22O2/c1-3-4-5-8-18-15-6-7-16-12(2)9-14(17)10-13(16)11-15/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyGPIKOSSQBACNPH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.87
Rot. Bonds5

About 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one

4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 158325360) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID158325360
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCCCCCOc1ccc2c(c1)CC(=O)CC2C
InChIInChI=1S/C16H22O2/c1-3-4-5-8-18-15-6-7-16-12(2)9-14(17)10-13(16)11-15/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyGPIKOSSQBACNPH-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-propoxy-2,3-dihydroinden-1-one
CID 63820814
(2S)-2-methyl-7-pentoxy-1,2-dihydronaphthalene
CID 175701230
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-octoxy-1,3-dihydroindol-2-one
CID 143867556
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 138040626
1,4-dipentoxybenzene
CID 18314717
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
1,3-dihexadecoxybenzene
CID 12686834
7-(4-bromobutoxy)-4-methyl-3,4-dihydrochromen-2-one
CID 155667336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one (CID 158325360) is 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one is CCCCCOc1ccc2c(c1)CC(=O)CC2C.
What is the InChIKey of 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is GPIKOSSQBACNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-4-5-8-18-15-6-7-16-12(2)9-14(17)10-13(16)11-15/h6-7,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one?
4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-pentoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 158325360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).