methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate

C13H13FO3 — CID 102446417

IUPACmethyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
SMILESCOC(=O)C1=C(F)CCc2c(OC)cccc21
InChIInChI=1S/C13H13FO3/c1-16-11-5-3-4-9-8(11)6-7-10(14)12(9)13(15)17-2/h3-5H,6-7H2,1-2H3
InChIKeyDONILGKWYQHDTG-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.49
Rot. Bonds2

About methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate

methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate (PubChem CID 102446417) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
PubChem CID102446417
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
SMILESCOC(=O)C1=C(F)CCc2c(OC)cccc21
InChIInChI=1S/C13H13FO3/c1-16-11-5-3-4-9-8(11)6-7-10(14)12(9)13(15)17-2/h3-5H,6-7H2,1-2H3
InChIKeyDONILGKWYQHDTG-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
CID 10751295
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105497474
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
CID 132600226
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxylate
CID 163390834
N-(3-fluorophenyl)-4-methoxy-2,3-dihydroinden-1-imine
CID 145426921
methyl 2-fluoro-6-formylcyclohexa-1,5-diene-1-carboxylate
CID 174331535

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
The IUPAC name of methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate (CID 102446417) is methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate is COC(=O)C1=C(F)CCc2c(OC)cccc21.
What is the InChIKey of methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
The InChIKey is DONILGKWYQHDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-16-11-5-3-4-9-8(11)6-7-10(14)12(9)13(15)17-2/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate has a molecular weight of 236.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 102446417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).