[2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate

C15H18O4 — CID 75520543

IUPAC[2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOCc1ccccc1COC(=O)C1=COCCC1
InChIInChI=1S/C15H18O4/c1-17-9-12-5-2-3-6-13(12)11-19-15(16)14-7-4-8-18-10-14/h2-3,5-6,10H,4,7-9,11H2,1H3
InChIKeyNFOMNGFYUMPMPA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.57
Rot. Bonds5

About [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate

[2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 75520543) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID75520543
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate
SMILESCOCc1ccccc1COC(=O)C1=COCCC1
InChIInChI=1S/C15H18O4/c1-17-9-12-5-2-3-6-13(12)11-19-15(16)14-7-4-8-18-10-14/h2-3,5-6,10H,4,7-9,11H2,1H3
InChIKeyNFOMNGFYUMPMPA-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
[4-[2-[4-(3,4-dihydro-2H-pyran-5-carbonyloxy)phenyl]propan-2-yl]phenyl] 3,4-dihydro-2H-pyran-5-carboxylate
CID 91431115
propyl 2-(methoxymethyl)benzoate
CID 78862382
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558938
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
CID 166283005
3,4-dihydro-2H-pyran-5-yl-(2,5-dimethoxyphenyl)methanone
CID 115798163
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
CID 79346129

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate (CID 75520543) is [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate is COCc1ccccc1COC(=O)C1=COCCC1.
What is the InChIKey of [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is NFOMNGFYUMPMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-17-9-12-5-2-3-6-13(12)11-19-15(16)14-7-4-8-18-10-14/h2-3,5-6,10H,4,7-9,11H2,1H3.
What are the key properties of [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate?
[2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]methyl 3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 75520543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).