8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

C27H32O3 — CID 130414791

IUPAC8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
SMILESC1=C(c2ccc(OCc3ccccc3)cc2)CCC(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C27H32O3/c1-2-4-21(5-3-1)20-28-26-12-10-24(11-13-26)22-6-8-23(9-7-22)25-14-16-27(17-15-25)29-18-19-30-27/h1-6,10-13,23,25H,7-9,14-20H2
InChIKeyDYJYTGXUMHMOGG-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.38
Rot. Bonds5

About 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane

8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane (PubChem CID 130414791) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
PubChem CID130414791
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
SMILESC1=C(c2ccc(OCc3ccccc3)cc2)CCC(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C27H32O3/c1-2-4-21(5-3-1)20-28-26-12-10-24(11-13-26)22-6-8-23(9-7-22)25-14-16-27(17-15-25)29-18-19-30-27/h1-6,10-13,23,25H,7-9,14-20H2
InChIKeyDYJYTGXUMHMOGG-UHFFFAOYSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane
CID 23150318
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
[1-methyl-4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]methanol
CID 18436343
CID 164583252
CID 164583252
3-[4-[[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methoxy]phenyl]propanoic acid
CID 130350894
benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
CID 66761730
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
1-hydroxy-1-[3-(4-phenylmethoxyphenyl)cyclopent-2-en-1-yl]urea
CID 54567920
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
4-(4-phenylmethoxyphenyl)-2,3-dihydropyridine
CID 172710264
(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol
CID 102404566

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane (CID 130414791) is 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane is C1=C(c2ccc(OCc3ccccc3)cc2)CCC(C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is DYJYTGXUMHMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c1-2-4-21(5-3-1)20-28-26-12-10-24(11-13-26)22-6-8-23(9-7-22)25-14-16-27(17-15-25)29-18-19-30-27/h1-6,10-13,23,25H,7-9,14-20H2.
What are the key properties of 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane?
8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 404.55 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 130414791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).