4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol

C14H19NO4 — CID 82024499

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol
SMILESCOc1cc(C2COC3(CCNCC3)O2)ccc1O
InChIInChI=1S/C14H19NO4/c1-17-12-8-10(2-3-11(12)16)13-9-18-14(19-13)4-6-15-7-5-14/h2-3,8,13,15-16H,4-7,9H2,1H3
InChIKeyDZTBSOPPGFUTHI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds2

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol

4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol (PubChem CID 82024499) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol
PubChem CID82024499
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol
SMILESCOc1cc(C2COC3(CCNCC3)O2)ccc1O
InChIInChI=1S/C14H19NO4/c1-17-12-8-10(2-3-11(12)16)13-9-18-14(19-13)4-6-15-7-5-14/h2-3,8,13,15-16H,4-7,9H2,1H3
InChIKeyDZTBSOPPGFUTHI-UHFFFAOYSA-N
XLogP1.57
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 175912439
3-(4-chlorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82024492
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxybenzene-1,2-diol
CID 163028163
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol
CID 19860082
2-(3,4-dimethoxyphenyl)-6-methyl-1,4-oxazepane
CID 65035548
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
CID 4019771
2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
CID 86220883
4-[4-[(E)-but-2-en-2-yl]-4-methylcyclohexyl]-2-methoxyphenol
CID 10214721

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol (CID 82024499) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol is COc1cc(C2COC3(CCNCC3)O2)ccc1O.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol?
The InChIKey is DZTBSOPPGFUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-8-10(2-3-11(12)16)13-9-18-14(19-13)4-6-15-7-5-14/h2-3,8,13,15-16H,4-7,9H2,1H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol?
4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol has a molecular weight of 265.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-3-yl)-2-methoxyphenol is sourced from PubChem (CID 82024499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).