[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone

C24H25O5P — CID 129060862

IUPAC[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone
SMILESC=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(C(=O)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C24H25O5P/c1-16-11-20(29-15-30(3,27)28)12-17(2)21(16)13-18-9-10-23(25)22(14-18)24(26)19-7-5-4-6-8-19/h4-12,14,25,27-28H,3,13,15H2,1-2H3
InChIKeyOSQYUTTXZYWPOJ-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.43
Rot. Bonds7

About [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone

[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone (PubChem CID 129060862) has the molecular formula C24H25O5P and a molecular weight of 424.43 g/mol. Its IUPAC name is [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone
PubChem CID129060862
Molecular FormulaC24H25O5P
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Name[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone
SMILESC=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(C(=O)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C24H25O5P/c1-16-11-20(29-15-30(3,27)28)12-17(2)21(16)13-18-9-10-23(25)22(14-18)24(26)19-7-5-4-6-8-19/h4-12,14,25,27-28H,3,13,15H2,1-2H3
InChIKeyOSQYUTTXZYWPOJ-UHFFFAOYSA-N
XLogP4.43
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3-benzoyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
CID 15942271
[4-[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
CID 25150124
[4-[[3-(4-fluorobenzoyl)-4-hydroxyphenyl]methyl]-3,5-dimethylphenyl]peroxy-pentan-3-ylphosphinic acid
CID 91120000
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
[4-[[3-(dimethylamino)-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methylphosphonic acid;hydrobromide
CID 162316368
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998
4-[[4-(dichlorophosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 162464815
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
2-benzyl-4-[[2,6-dimethyl-4-(phosphonatomethoxy)phenyl]methyl]phenol;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinate
CID 159636615
2-[4-[(4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
CID 162661242
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-5-phenylpentan-2-one
CID 159161743
2-hydroxy-5-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid
CID 101328688

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone?
The IUPAC name of [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone (CID 129060862) is [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone.
What is the SMILES notation for [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone?
The canonical SMILES for [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone is C=P(O)(O)COc1cc(C)c(Cc2ccc(O)c(C(=O)c3ccccc3)c2)c(C)c1.
What is the InChIKey of [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone?
The InChIKey is OSQYUTTXZYWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O5P/c1-16-11-20(29-15-30(3,27)28)12-17(2)21(16)13-18-9-10-23(25)22(14-18)24(26)19-7-5-4-6-8-19/h4-12,14,25,27-28H,3,13,15H2,1-2H3.
What are the key properties of [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone?
[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone has a molecular weight of 424.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone is sourced from PubChem (CID 129060862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).