methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate

C14H18O5 — CID 117053362

IUPACmethyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCC2CCOC2)c(OC)c1
InChIInChI=1S/C14H18O5/c1-16-13-7-11(14(15)17-2)3-4-12(13)19-9-10-5-6-18-8-10/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyNCRITCLEBILNRB-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.90
Rot. Bonds5

About methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate

methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate (PubChem CID 117053362) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
PubChem CID117053362
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCC2CCOC2)c(OC)c1
InChIInChI=1S/C14H18O5/c1-16-13-7-11(14(15)17-2)3-4-12(13)19-9-10-5-6-18-8-10/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyNCRITCLEBILNRB-UHFFFAOYSA-N
XLogP1.90
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-3-(oxolan-3-ylmethoxy)benzoate
CID 82796221
oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
CID 65373557
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
3-chloro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61379805
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126434522
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
methyl 4-fluoro-3-(oxolan-3-ylmethylamino)benzoate
CID 43684495
5-methoxy-2-nitro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61313828

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate?
The IUPAC name of methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate (CID 117053362) is methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate is COC(=O)c1ccc(OCC2CCOC2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate?
The InChIKey is NCRITCLEBILNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-13-7-11(14(15)17-2)3-4-12(13)19-9-10-5-6-18-8-10/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate?
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate has a molecular weight of 266.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate is sourced from PubChem (CID 117053362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).