[3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol

C34H34O4 — CID 570540

IUPAC[3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1OC2(CCCCC2)OC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34O4/c35-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)30-31(38-32(37-30)24-14-5-15-25-32)34(36,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-31,35-36H,5,14-15,24-25H2
InChIKeyBFEYEENPZZLVAX-UHFFFAOYSA-N
MW506.64 g/mol
LogP6.30
Rot. Bonds6

About [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol

[3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol (PubChem CID 570540) has the molecular formula C34H34O4 and a molecular weight of 506.64 g/mol. Its IUPAC name is [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol
PubChem CID570540
Molecular FormulaC34H34O4
Molecular Weight506.64 g/mol
Exact Mass506.25
IUPAC Name[3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1OC2(CCCCC2)OC1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34O4/c35-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)30-31(38-32(37-30)24-14-5-15-25-32)34(36,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-31,35-36H,5,14-15,24-25H2
InChIKeyBFEYEENPZZLVAX-UHFFFAOYSA-N
XLogP6.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol?
The IUPAC name of [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol (CID 570540) is [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol.
What is the SMILES notation for [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol?
The canonical SMILES for [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1OC2(CCCCC2)OC1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol?
The InChIKey is BFEYEENPZZLVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O4/c35-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)30-31(38-32(37-30)24-14-5-15-25-32)34(36,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23,30-31,35-36H,5,14-15,24-25H2.
What are the key properties of [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol?
[3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol has a molecular weight of 506.64 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hydroxy(diphenyl)methyl]-1,4-dioxaspiro[4.5]decan-2-yl]-diphenylmethanol is sourced from PubChem (CID 570540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).