4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde

C30H30O5 — CID 165110460

IUPAC4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde
SMILESC[C@@H](Oc1ccc(C=O)cc1)c1ccccc1.C[C@H](O)c1ccccc1.O=Cc1ccc(O)cc1
InChIInChI=1S/C15H14O2.C8H10O.C7H6O2/c1-12(14-5-3-2-4-6-14)17-15-9-7-13(11-16)8-10-15;1-7(9)8-5-3-2-4-6-8;8-5-6-1-3-7(9)4-2-6/h2-12H,1H3;2-7,9H,1H3;1-5,9H/t12-;7-;/m10./s1
InChIKeyZVZSKSJOOUZSDC-MKTPXIFISA-N
MW470.57 g/mol
LogP6.58
Rot. Bonds6

About 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde

4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde (PubChem CID 165110460) has the molecular formula C30H30O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde.

Molecular Properties

Compound Name4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde
PubChem CID165110460
Molecular FormulaC30H30O5
Molecular Weight470.57 g/mol
Exact Mass470.21
IUPAC Name4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde
SMILESC[C@@H](Oc1ccc(C=O)cc1)c1ccccc1.C[C@H](O)c1ccccc1.O=Cc1ccc(O)cc1
InChIInChI=1S/C15H14O2.C8H10O.C7H6O2/c1-12(14-5-3-2-4-6-14)17-15-9-7-13(11-16)8-10-15;1-7(9)8-5-3-2-4-6-8;8-5-6-1-3-7(9)4-2-6/h2-12H,1H3;2-7,9H,1H3;1-5,9H/t12-;7-;/m10./s1
InChIKeyZVZSKSJOOUZSDC-MKTPXIFISA-N
XLogP6.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
4-[4-[1-[4-[4-[4-[4-(1-hydroxyethyl)phenyl]phenoxy]phenyl]sulfonylphenyl]ethoxy]phenyl]phenol
CID 153019359
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
(1S)-1-phenylethanol
CID 157125626
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
acetic acid;4-hydroxybenzaldehyde
CID 86610069
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
azane;(1R)-1-phenylethanol
CID 126646564
4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde?
The IUPAC name of 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde (CID 165110460) is 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde.
What is the SMILES notation for 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde?
The canonical SMILES for 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde is C[C@@H](Oc1ccc(C=O)cc1)c1ccccc1.C[C@H](O)c1ccccc1.O=Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde?
The InChIKey is ZVZSKSJOOUZSDC-MKTPXIFISA-N. The full InChI is InChI=1S/C15H14O2.C8H10O.C7H6O2/c1-12(14-5-3-2-4-6-14)17-15-9-7-13(11-16)8-10-15;1-7(9)8-5-3-2-4-6-8;8-5-6-1-3-7(9)4-2-6/h2-12H,1H3;2-7,9H,1H3;1-5,9H/t12-;7-;/m10./s1.
What are the key properties of 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde?
4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde has a molecular weight of 470.57 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzaldehyde;(1S)-1-phenylethanol;4-[(1R)-1-phenylethoxy]benzaldehyde is sourced from PubChem (CID 165110460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).