4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one

C21H24O4 — CID 59801682

IUPAC4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
SMILESCCOc1cccc(CC2COC(=O)C2Cc2cccc(OC)c2)c1
InChIInChI=1S/C21H24O4/c1-3-24-19-9-5-6-15(12-19)10-17-14-25-21(22)20(17)13-16-7-4-8-18(11-16)23-2/h4-9,11-12,17,20H,3,10,13-14H2,1-2H3
InChIKeyHEFQTQPCMSKKKO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.67
Rot. Bonds7

About 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one

4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one (PubChem CID 59801682) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
PubChem CID59801682
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one
SMILESCCOc1cccc(CC2COC(=O)C2Cc2cccc(OC)c2)c1
InChIInChI=1S/C21H24O4/c1-3-24-19-9-5-6-15(12-19)10-17-14-25-21(22)20(17)13-16-7-4-8-18(11-16)23-2/h4-9,11-12,17,20H,3,10,13-14H2,1-2H3
InChIKeyHEFQTQPCMSKKKO-UHFFFAOYSA-N
XLogP3.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3,4-bis[(3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
CID 11580724
(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 71575250
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
(3R,4R)-4-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 11131264
(3R,4S)-3,4-dibenzyloxolan-2-one
CID 14546898
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]oxolan-2-one
CID 71714363
3-[(3,4-dihydroxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 73409570
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]oxolan-2-one
CID 140918252
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 71714216
4-[(3-chlorophenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 163684828
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one (CID 59801682) is 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one is CCOc1cccc(CC2COC(=O)C2Cc2cccc(OC)c2)c1.
What is the InChIKey of 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one?
The InChIKey is HEFQTQPCMSKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-3-24-19-9-5-6-15(12-19)10-17-14-25-21(22)20(17)13-16-7-4-8-18(11-16)23-2/h4-9,11-12,17,20H,3,10,13-14H2,1-2H3.
What are the key properties of 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one?
4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one has a molecular weight of 340.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 59801682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).