1-(6-methoxynaphthalen-2-yl)propan-2-one;propane

C17H22O2 — CID 144625735

IUPAC1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
SMILESCCC.COc1ccc2cc(CC(C)=O)ccc2c1
InChIInChI=1S/C14H14O2.C3H8/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11;1-3-2/h3-6,8-9H,7H2,1-2H3;3H2,1-2H3
InChIKeyQCPKTGCNZAYIAA-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.40
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane

1-(6-methoxynaphthalen-2-yl)propan-2-one;propane (PubChem CID 144625735) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
PubChem CID144625735
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
SMILESCCC.COc1ccc2cc(CC(C)=O)ccc2c1
InChIInChI=1S/C14H14O2.C3H8/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11;1-3-2/h3-6,8-9H,7H2,1-2H3;3H2,1-2H3
InChIKeyQCPKTGCNZAYIAA-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 67768971
methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate
CID 70261477
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
(dioctylamino) 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 88782104
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 68746310

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane (CID 144625735) is 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane is CCC.COc1ccc2cc(CC(C)=O)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane?
The InChIKey is QCPKTGCNZAYIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C3H8/c1-10(15)7-11-3-4-13-9-14(16-2)6-5-12(13)8-11;1-3-2/h3-6,8-9H,7H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane?
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane has a molecular weight of 258.36 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)propan-2-one;propane is sourced from PubChem (CID 144625735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).