2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one

C16H22O — CID 161415157

IUPAC2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCCCC1Cc2ccccc2C(=O)C1C
InChIInChI=1S/C16H22O/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)16(17)12(13)2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyPJZXMBHNPONIEQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.26
Rot. Bonds4

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

2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 161415157) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID161415157
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCCCC1Cc2ccccc2C(=O)C1C
InChIInChI=1S/C16H22O/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)16(17)12(13)2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyPJZXMBHNPONIEQ-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-pentadecyl-3,4-dihydroisochromen-1-one
CID 101031026
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
2-pentylsulfinyl-2,3-dihydroinden-1-one
CID 66655048
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
1-chloro-2-decyl-2,3-dihydro-1H-indene
CID 63460402
2-(1-fluorobutyl)-2,3-dihydroinden-1-one
CID 137380205
8-chloro-3-heptyl-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 161415161
4-[(1R,2R)-2-pentylcyclopropyl]-1,2-dihydronaphthalene
CID 15891544
2-(6-oxoundecyl)-3,4-dihydro-2H-naphthalen-1-one
CID 70527220
3-propyl-3,4-dihydroisochromen-1-one
CID 11116834
2-(5-aminopentyl)-2,3-dihydroinden-1-one
CID 23389014
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one (CID 161415157) is 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one is CCCCCC1Cc2ccccc2C(=O)C1C.
What is the InChIKey of 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PJZXMBHNPONIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)16(17)12(13)2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3.
What are the key properties of 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one?
2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 161415157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).