methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate

C24H24O4 — CID 10022408

IUPACmethyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(-c3cccc(COC4CCCCO4)c3)cc2c1
InChIInChI=1S/C24H24O4/c1-26-24(25)21-11-9-18-8-10-20(14-22(18)15-21)19-6-4-5-17(13-19)16-28-23-7-2-3-12-27-23/h4-6,8-11,13-15,23H,2-3,7,12,16H2,1H3
InChIKeyKDWZMVFHXWVQMW-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.34
Rot. Bonds5

About methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate

methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate (PubChem CID 10022408) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
PubChem CID10022408
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namemethyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(-c3cccc(COC4CCCCO4)c3)cc2c1
InChIInChI=1S/C24H24O4/c1-26-24(25)21-11-9-18-8-10-20(14-22(18)15-21)19-6-4-5-17(13-19)16-28-23-7-2-3-12-27-23/h4-6,8-11,13-15,23H,2-3,7,12,16H2,1H3
InChIKeyKDWZMVFHXWVQMW-UHFFFAOYSA-N
XLogP5.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-[3-(hydroxymethyl)phenyl]naphthalene-2-carboxylate
CID 10447048
methyl 3-[2-methyl-6-(oxan-2-yloxymethyl)-4-pyridinyl]benzoate
CID 69489989
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
methyl 4-[(E)-2-[3-[3-(oxan-2-yloxy)propyl]phenyl]ethenyl]benzoate
CID 10022678
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate
CID 66670956
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate (CID 10022408) is methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate is COC(=O)c1ccc2ccc(-c3cccc(COC4CCCCO4)c3)cc2c1.
What is the InChIKey of methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate?
The InChIKey is KDWZMVFHXWVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-26-24(25)21-11-9-18-8-10-20(14-22(18)15-21)19-6-4-5-17(13-19)16-28-23-7-2-3-12-27-23/h4-6,8-11,13-15,23H,2-3,7,12,16H2,1H3.
What are the key properties of methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate?
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate is sourced from PubChem (CID 10022408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).