(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate

C20H24O5 — CID 78791179

IUPAC(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
SMILESCCCOc1ccc(COC(=O)c2ccc(COC)cc2)cc1OC
InChIInChI=1S/C20H24O5/c1-4-11-24-18-10-7-16(12-19(18)23-3)14-25-20(21)17-8-5-15(6-9-17)13-22-2/h5-10,12H,4,11,13-14H2,1-3H3
InChIKeySRXVBCXBACVVLE-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.99
Rot. Bonds9

About (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate

(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate (PubChem CID 78791179) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
PubChem CID78791179
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
SMILESCCCOc1ccc(COC(=O)c2ccc(COC)cc2)cc1OC
InChIInChI=1S/C20H24O5/c1-4-11-24-18-10-7-16(12-19(18)23-3)14-25-20(21)17-8-5-15(6-9-17)13-22-2/h5-10,12H,4,11,13-14H2,1-3H3
InChIKeySRXVBCXBACVVLE-UHFFFAOYSA-N
XLogP3.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78840809
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
(3,4-dimethoxyphenyl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9096959
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate?
The IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate (CID 78791179) is (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate.
What is the SMILES notation for (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate?
The canonical SMILES for (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate is CCCOc1ccc(COC(=O)c2ccc(COC)cc2)cc1OC.
What is the InChIKey of (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate?
The InChIKey is SRXVBCXBACVVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-4-11-24-18-10-7-16(12-19(18)23-3)14-25-20(21)17-8-5-15(6-9-17)13-22-2/h5-10,12H,4,11,13-14H2,1-3H3.
What are the key properties of (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate?
(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate has a molecular weight of 344.41 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate is sourced from PubChem (CID 78791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).