6-propyl-1H-naphthalen-2-one

C13H14O — CID 141020466

IUPAC6-propyl-1H-naphthalen-2-one
SMILESCCCc1ccc2c(c1)C=CC(=O)C2
InChIInChI=1S/C13H14O/c1-2-3-10-4-5-12-9-13(14)7-6-11(12)8-10/h4-8H,2-3,9H2,1H3
InChIKeyWJCMZCZJLKECPP-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.78
Rot. Bonds2

About 6-propyl-1H-naphthalen-2-one

6-propyl-1H-naphthalen-2-one (PubChem CID 141020466) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-propyl-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-propyl-1H-naphthalen-2-one
PubChem CID141020466
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name6-propyl-1H-naphthalen-2-one
SMILESCCCc1ccc2c(c1)C=CC(=O)C2
InChIInChI=1S/C13H14O/c1-2-3-10-4-5-12-9-13(14)7-6-11(12)8-10/h4-8H,2-3,9H2,1H3
InChIKeyWJCMZCZJLKECPP-UHFFFAOYSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
5-[2-(4-ethylphenyl)ethyl]-2-(4-propylphenyl)-1H-indene
CID 140812744
5-octadecyl-1H-indene
CID 90751202
4-[2-[2-(4-propylphenyl)-1H-inden-5-yl]ethyl]phenol
CID 131983294
(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one
CID 19710247
3,4-difluoro-2,6-dipropyl-9H-fluorene
CID 69416130
5-[2-(4-ethylphenyl)ethyl]-2-(3-propylphenyl)-1H-indene
CID 140812764
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
5-propyl-3H-2-benzofuran-1-one
CID 123428472
1,2-diethyl-4-propylbenzene
CID 54363919
2,5-dipropylbenzoic acid
CID 139904729
2-ethyl-5-propylphenol
CID 522454

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1H-naphthalen-2-one?
The IUPAC name of 6-propyl-1H-naphthalen-2-one (CID 141020466) is 6-propyl-1H-naphthalen-2-one.
What is the SMILES notation for 6-propyl-1H-naphthalen-2-one?
The canonical SMILES for 6-propyl-1H-naphthalen-2-one is CCCc1ccc2c(c1)C=CC(=O)C2.
What is the InChIKey of 6-propyl-1H-naphthalen-2-one?
The InChIKey is WJCMZCZJLKECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-3-10-4-5-12-9-13(14)7-6-11(12)8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 6-propyl-1H-naphthalen-2-one?
6-propyl-1H-naphthalen-2-one has a molecular weight of 186.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1H-naphthalen-2-one is sourced from PubChem (CID 141020466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).