(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone

C14H18O3 — CID 114965478

IUPAC(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2COC(C)C2)c(C)c1
InChIInChI=1S/C14H18O3/c1-9-6-12(16-3)4-5-13(9)14(15)11-7-10(2)17-8-11/h4-6,10-11H,7-8H2,1-3H3
InChIKeyCRVQWQTVSQJNGX-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.61
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone

(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114965478) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
PubChem CID114965478
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2COC(C)C2)c(C)c1
InChIInChI=1S/C14H18O3/c1-9-6-12(16-3)4-5-13(9)14(15)11-7-10(2)17-8-11/h4-6,10-11H,7-8H2,1-3H3
InChIKeyCRVQWQTVSQJNGX-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 ≤ 500234.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824771
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(2-bromo-4,6-dimethoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824821
(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824833
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(5-methoxy-2-methylphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947197
(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824828

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone (CID 114965478) is (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone is COc1ccc(C(=O)C2COC(C)C2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is CRVQWQTVSQJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-6-12(16-3)4-5-13(9)14(15)11-7-10(2)17-8-11/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone?
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 234.29 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 (4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114965478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).