methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate

C18H24O5 — CID 68545486

IUPACmethyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate
SMILESCOC(=O)[C@H]1COCC[C@H]1c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C18H24O5/c1-20-18(19)16-12-21-11-9-15(16)13-5-7-14(8-6-13)23-17-4-2-3-10-22-17/h5-8,15-17H,2-4,9-12H2,1H3/t15-,16-,17?/m0/s1
InChIKeyFPGMPGNXFRVWDC-PYNWJHIZSA-N
MW320.39 g/mol
LogP2.89
Rot. Bonds4

About methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate

methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate (PubChem CID 68545486) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate
PubChem CID68545486
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Namemethyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate
SMILESCOC(=O)[C@H]1COCC[C@H]1c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C18H24O5/c1-20-18(19)16-12-21-11-9-15(16)13-5-7-14(8-6-13)23-17-4-2-3-10-22-17/h5-8,15-17H,2-4,9-12H2,1H3/t15-,16-,17?/m0/s1
InChIKeyFPGMPGNXFRVWDC-PYNWJHIZSA-N
XLogP2.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxan-3-yl]propane-2-sulfonamide
CID 68544505
[(1R,2S)-2-[4-(oxan-2-yloxy)phenyl]cyclohexyl] propanoate
CID 54097033
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
CID 143834486
CID 143834486
methyl 3,5-bis(oxan-2-yloxy)benzoate
CID 21305399
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
2-(4-methoxyphenoxy)oxolane
CID 135060561
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate?
The IUPAC name of methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate (CID 68545486) is methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate is COC(=O)[C@H]1COCC[C@H]1c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate?
The InChIKey is FPGMPGNXFRVWDC-PYNWJHIZSA-N. The full InChI is InChI=1S/C18H24O5/c1-20-18(19)16-12-21-11-9-15(16)13-5-7-14(8-6-13)23-17-4-2-3-10-22-17/h5-8,15-17H,2-4,9-12H2,1H3/t15-,16-,17?/m0/s1.
What are the key properties of methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate?
methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-[4-(oxan-2-yloxy)phenyl]oxane-3-carboxylate is sourced from PubChem (CID 68545486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).