(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone

C25H34O4 — CID 23069369

IUPAC(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
SMILESCCCCCCCCCCCCc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-21(23(27)17-19)25(29)22-16-14-20(26)18-24(22)28/h13-18,26-28H,2-12H2,1H3
InChIKeyVPRSWJLSSGEWOD-UHFFFAOYSA-N
MW398.54 g/mol
LogP6.50
Rot. Bonds13

About (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone

(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone (PubChem CID 23069369) has the molecular formula C25H34O4 and a molecular weight of 398.54 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
PubChem CID23069369
Molecular FormulaC25H34O4
Molecular Weight398.54 g/mol
Exact Mass398.25
IUPAC Name(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
SMILESCCCCCCCCCCCCc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-21(23(27)17-19)25(29)22-16-14-20(26)18-24(22)28/h13-18,26-28H,2-12H2,1H3
InChIKeyVPRSWJLSSGEWOD-UHFFFAOYSA-N
XLogP6.50
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
4-butyl-2-hydroxybenzoic acid
CID 14895249
2-ethyl-5-nonylphenol
CID 54394722
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
2,7-diethyl-1-N',8-N'-bis(2-hydroxy-4-octylbenzoyl)octanedihydrazide
CID 101307436
(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
[4-(4-butoxybutyl)-2-hydroxyphenyl]-phenylmethanone
CID 58352220
2-butyl-1-N',3-N'-bis(2-hydroxy-4-pentylbenzoyl)-2-pentylpropanedihydrazide
CID 101307112
calcium;2-hydroxy-4-tetradecylbenzoic acid;2-oxido-4-tetradecylbenzoate
CID 101311350
nickel;4-octylphenol
CID 87833867
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone (CID 23069369) is (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone is CCCCCCCCCCCCc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1.
What is the InChIKey of (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone?
The InChIKey is VPRSWJLSSGEWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-21(23(27)17-19)25(29)22-16-14-20(26)18-24(22)28/h13-18,26-28H,2-12H2,1H3.
What are the key properties of (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone?
(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone has a molecular weight of 398.54 g/mol, XLogP of 6.50, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone is sourced from PubChem (CID 23069369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).