(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate

C17H17FO5 — CID 2629800

IUPAC(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H17FO5/c1-20-13-7-12(8-14(9-13)21-2)17(19)23-10-11-4-5-16(22-3)15(18)6-11/h4-9H,10H2,1-3H3
InChIKeyKVTPBUNXBNAYCC-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.21
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate

(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate (PubChem CID 2629800) has the molecular formula C17H17FO5 and a molecular weight of 320.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
PubChem CID2629800
Molecular FormulaC17H17FO5
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H17FO5/c1-20-13-7-12(8-14(9-13)21-2)17(19)23-10-11-4-5-16(22-3)15(18)6-11/h4-9H,10H2,1-3H3
InChIKeyKVTPBUNXBNAYCC-UHFFFAOYSA-N
XLogP3.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787525
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
(3-fluoro-4-methoxyphenyl)methyl 2-amino-4-chlorobenzoate
CID 60643048
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate (CID 2629800) is (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCc2ccc(OC)c(F)c2)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate?
The InChIKey is KVTPBUNXBNAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO5/c1-20-13-7-12(8-14(9-13)21-2)17(19)23-10-11-4-5-16(22-3)15(18)6-11/h4-9H,10H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate?
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate has a molecular weight of 320.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 2629800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).