(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone

C14H18O3 — CID 106790174

IUPAC(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone
SMILESCOc1cc(C)ccc1C(=O)C1CCOCC1
InChIInChI=1S/C14H18O3/c1-10-3-4-12(13(9-10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyHQHIYOAKTHGPQZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.61
Rot. Bonds3

About (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone

(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone (PubChem CID 106790174) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone
PubChem CID106790174
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone
SMILESCOc1cc(C)ccc1C(=O)C1CCOCC1
InChIInChI=1S/C14H18O3/c1-10-3-4-12(13(9-10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyHQHIYOAKTHGPQZ-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
CID 105099428
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
CID 65423286
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone?
The IUPAC name of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone (CID 106790174) is (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone?
The canonical SMILES for (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone is COc1cc(C)ccc1C(=O)C1CCOCC1.
What is the InChIKey of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone?
The InChIKey is HQHIYOAKTHGPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-3-4-12(13(9-10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone?
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 106790174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).