1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one

C16H18O2 — CID 154120780

IUPAC1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
SMILESCCCC(=O)c1c(C)cc(OC)c2ccccc12
InChIInChI=1S/C16H18O2/c1-4-7-14(17)16-11(2)10-15(18-3)12-8-5-6-9-13(12)16/h5-6,8-10H,4,7H2,1-3H3
InChIKeyIHNXNXFCEHDOGI-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one

1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one (PubChem CID 154120780) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
PubChem CID154120780
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
SMILESCCCC(=O)c1c(C)cc(OC)c2ccccc12
InChIInChI=1S/C16H18O2/c1-4-7-14(17)16-11(2)10-15(18-3)12-8-5-6-9-13(12)16/h5-6,8-10H,4,7H2,1-3H3
InChIKeyIHNXNXFCEHDOGI-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102
methyl 4-(4-methoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552645
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
1-(4-methoxy-2,3,6-trimethylphenyl)-2-sulfanylethanone
CID 116829931
(3-methoxy-4-nonanoyloxynaphthalen-1-yl) nonanoate
CID 153323087
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]butan-1-one
CID 123307506
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
methyl 4-(2-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82550346
1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,6-dihydroxy-4-methoxyphenyl]butan-1-one
CID 613973

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one?
The IUPAC name of 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one (CID 154120780) is 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one?
The canonical SMILES for 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one is CCCC(=O)c1c(C)cc(OC)c2ccccc12.
What is the InChIKey of 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one?
The InChIKey is IHNXNXFCEHDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-7-14(17)16-11(2)10-15(18-3)12-8-5-6-9-13(12)16/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one?
1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one has a molecular weight of 242.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one is sourced from PubChem (CID 154120780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).