(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone

C14H18O3 — CID 116748760

IUPAC(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
SMILESCOC1(C(=O)c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H18O3/c1-11-4-3-5-12(10-11)13(15)14(16-2)6-8-17-9-7-14/h3-5,10H,6-9H2,1-2H3
InChIKeyYEKONJNKMZAOPV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.37
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone

(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone (PubChem CID 116748760) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
PubChem CID116748760
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
SMILESCOC1(C(=O)c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H18O3/c1-11-4-3-5-12(10-11)13(15)14(16-2)6-8-17-9-7-14/h3-5,10H,6-9H2,1-2H3
InChIKeyYEKONJNKMZAOPV-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116748710
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
3-(3-methylbenzoyl)oxetane-3-carboxylic acid
CID 116922434
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
CID 114726210
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone (CID 116748760) is (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone is COC1(C(=O)c2cccc(C)c2)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone?
The InChIKey is YEKONJNKMZAOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-11-4-3-5-12(10-11)13(15)14(16-2)6-8-17-9-7-14/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone?
(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 116748760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).