2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde

C19H20O4 — CID 87666627

IUPAC2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde
SMILESCC(C)(c1ccc(C(O)C=O)cc1)c1ccc(C(O)C=O)cc1
InChIInChI=1S/C19H20O4/c1-19(2,15-7-3-13(4-8-15)17(22)11-20)16-9-5-14(6-10-16)18(23)12-21/h3-12,17-18,22-23H,1-2H3
InChIKeyDKLOWLJJDQRRHB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.48
Rot. Bonds6

About 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde

2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde (PubChem CID 87666627) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde
PubChem CID87666627
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde
SMILESCC(C)(c1ccc(C(O)C=O)cc1)c1ccc(C(O)C=O)cc1
InChIInChI=1S/C19H20O4/c1-19(2,15-7-3-13(4-8-15)17(22)11-20)16-9-5-14(6-10-16)18(23)12-21/h3-12,17-18,22-23H,1-2H3
InChIKeyDKLOWLJJDQRRHB-UHFFFAOYSA-N
XLogP2.48
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
2,2-bis(4-tert-butylphenyl)acetaldehyde
CID 19958795
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
CID 175105136
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
CID 90657292
1-(4-tert-butylphenyl)-4-methylpenta-2,3-dien-1-ol
CID 21427339
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
2-[4-[2-[4-(2-oxoethoxy)phenyl]propan-2-yl]phenoxy]acetaldehyde
CID 19379183
ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
CID 144897116
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde?
The IUPAC name of 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde (CID 87666627) is 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde.
What is the SMILES notation for 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde?
The canonical SMILES for 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde is CC(C)(c1ccc(C(O)C=O)cc1)c1ccc(C(O)C=O)cc1.
What is the InChIKey of 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde?
The InChIKey is DKLOWLJJDQRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-19(2,15-7-3-13(4-8-15)17(22)11-20)16-9-5-14(6-10-16)18(23)12-21/h3-12,17-18,22-23H,1-2H3.
What are the key properties of 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde?
2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde has a molecular weight of 312.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde is sourced from PubChem (CID 87666627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).