3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol

C19H20O3 — CID 67848776

IUPAC3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol
SMILESOC1OC2(CCCC2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O3/c20-17-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)22-18(21-17)13-7-8-14-18/h1-6,9-12,17,20H,7-8,13-14H2
InChIKeyAQWJWSLGCLDIOS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.57
Rot. Bonds2

About 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol

3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol (PubChem CID 67848776) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol.

Molecular Properties

Compound Name3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol
PubChem CID67848776
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol
SMILESOC1OC2(CCCC2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O3/c20-17-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)22-18(21-17)13-7-8-14-18/h1-6,9-12,17,20H,7-8,13-14H2
InChIKeyAQWJWSLGCLDIOS-UHFFFAOYSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,8aR)-N,N-dimethyl-4,4,8,8-tetraphenylspiro[3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine-2,1'-cyclopentane]-6-amine
CID 58583038
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
3,3-diphenyloxolan-2-ol
CID 102188160
(3R)-2,2-diphenyloxolan-3-ol
CID 125490634
1-[(2R,3R)-3-methyl-2-phenyloxiran-2-yl]cycloheptan-1-ol
CID 12012987
2-phenylspiro[3-oxatricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-5,1'-cyclohexane]
CID 59109016
cis-(1S,3S)-1-phenylcyclohexane-1,3-diol
CID 130757537
(1S,8S)-10,10-diphenyl-9-oxabicyclo[6.2.0]decane
CID 101105707
1,1-diphenylcyclotetradecane
CID 175822005
copper;1-phenylcyclohexan-1-ol
CID 174727157
(3aS,8aS)-6-tert-butyl-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
CID 162462396

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol?
The IUPAC name of 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol (CID 67848776) is 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol.
What is the SMILES notation for 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol?
The canonical SMILES for 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol is OC1OC2(CCCC2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol?
The InChIKey is AQWJWSLGCLDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-17-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)22-18(21-17)13-7-8-14-18/h1-6,9-12,17,20H,7-8,13-14H2.
What are the key properties of 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol?
3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol has a molecular weight of 296.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol is sourced from PubChem (CID 67848776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).