(6-methyloxan-3-yl) 4-methoxybenzoate

C14H18O4 — CID 161056106

IUPAC(6-methyloxan-3-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC2CCC(C)OC2)cc1
InChIInChI=1S/C14H18O4/c1-10-3-6-13(9-17-10)18-14(15)11-4-7-12(16-2)8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyUCTQZBRBIYLWJL-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.42
Rot. Bonds3

About (6-methyloxan-3-yl) 4-methoxybenzoate

(6-methyloxan-3-yl) 4-methoxybenzoate (PubChem CID 161056106) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (6-methyloxan-3-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(6-methyloxan-3-yl) 4-methoxybenzoate
PubChem CID161056106
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(6-methyloxan-3-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC2CCC(C)OC2)cc1
InChIInChI=1S/C14H18O4/c1-10-3-6-13(9-17-10)18-14(15)11-4-7-12(16-2)8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyUCTQZBRBIYLWJL-UHFFFAOYSA-N
XLogP2.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methoxyphenoxy)carbonylbenzoyl]oxycyclohexane-1-carboxylic acid
CID 131982159
[(3aR,6aR)-6-(4-methoxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methoxybenzoate;ethane
CID 123797725
pyrrolidin-3-yl 4-methoxybenzoate;hydrochloride
CID 53409824
[(3S,3aS,6S,6aS)-6-(4-methoxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-hydroxybenzoate
CID 70973267
CID 140598437
CID 140598437
[4-[[(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
CID 155032219
bis(4-methylphenyl) but-2-ynedioate;diphenyl but-2-ynedioate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate)
CID 161478119
[2-(4-methylbenzoyl)oxy-1,3-dioxan-5-yl] 4-methylbenzoate
CID 144724305
4-(4-methoxycarbonyloxybenzoyl)oxycyclohexane-1-carboxylic acid
CID 131982155
[(3R,3aR,6R,6aR)-6-(4-prop-2-enoyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methoxybenzoate
CID 88981890
[6-(4-prop-2-enoyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methoxybenzoate
CID 59583993
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076

Frequently Asked Questions

What is the IUPAC name of (6-methyloxan-3-yl) 4-methoxybenzoate?
The IUPAC name of (6-methyloxan-3-yl) 4-methoxybenzoate (CID 161056106) is (6-methyloxan-3-yl) 4-methoxybenzoate.
What is the SMILES notation for (6-methyloxan-3-yl) 4-methoxybenzoate?
The canonical SMILES for (6-methyloxan-3-yl) 4-methoxybenzoate is COc1ccc(C(=O)OC2CCC(C)OC2)cc1.
What is the InChIKey of (6-methyloxan-3-yl) 4-methoxybenzoate?
The InChIKey is UCTQZBRBIYLWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-10-3-6-13(9-17-10)18-14(15)11-4-7-12(16-2)8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3.
What are the key properties of (6-methyloxan-3-yl) 4-methoxybenzoate?
(6-methyloxan-3-yl) 4-methoxybenzoate has a molecular weight of 250.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyloxan-3-yl) 4-methoxybenzoate is sourced from PubChem (CID 161056106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).