3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid

C20H25NO6 — CID 76974552

IUPAC3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid
SMILESCCOc1cc(O)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.O=CO
InChIInChI=1S/C19H23NO4.CH2O2/c1-2-22-17-12-15(21)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18;2-1-3/h3-9,12,18-21H,2,10-11,13H2,1H3;1H,(H,2,3)/t18-,19-;/m0./s1
InChIKeySPAMZBALCSGABZ-HLRBRJAUSA-N
MW375.42 g/mol
LogP2.60
Rot. Bonds6

About 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid

3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid (PubChem CID 76974552) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid.

Molecular Properties

Compound Name3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid
PubChem CID76974552
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid
SMILESCCOc1cc(O)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.O=CO
InChIInChI=1S/C19H23NO4.CH2O2/c1-2-22-17-12-15(21)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18;2-1-3/h3-9,12,18-21H,2,10-11,13H2,1H3;1H,(H,2,3)/t18-,19-;/m0./s1
InChIKeySPAMZBALCSGABZ-HLRBRJAUSA-N
XLogP2.60
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid?
The IUPAC name of 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid (CID 76974552) is 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid.
What is the SMILES notation for 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid?
The canonical SMILES for 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid is CCOc1cc(O)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.O=CO.
What is the InChIKey of 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid?
The InChIKey is SPAMZBALCSGABZ-HLRBRJAUSA-N. The full InChI is InChI=1S/C19H23NO4.CH2O2/c1-2-22-17-12-15(21)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18;2-1-3/h3-9,12,18-21H,2,10-11,13H2,1H3;1H,(H,2,3)/t18-,19-;/m0./s1.
What are the key properties of 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid?
3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid has a molecular weight of 375.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]phenol;formic acid is sourced from PubChem (CID 76974552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).