2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde

C20H16O3 — CID 88594631

IUPAC2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
SMILESO=Cc1cc(C(c2ccccc2)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H16O3/c21-13-17-12-16(8-11-19(17)23)20(14-4-2-1-3-5-14)15-6-9-18(22)10-7-15/h1-13,20,22-23H
InChIKeyIYZSMFAHJCNNGQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.09
Rot. Bonds4

About 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde

2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde (PubChem CID 88594631) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
PubChem CID88594631
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
SMILESO=Cc1cc(C(c2ccccc2)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H16O3/c21-13-17-12-16(8-11-19(17)23)20(14-4-2-1-3-5-14)15-6-9-18(22)10-7-15/h1-13,20,22-23H
InChIKeyIYZSMFAHJCNNGQ-UHFFFAOYSA-N
XLogP4.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol
CID 139760597
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
CID 158421076
CID 158421076
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855779
2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 20598480

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde (CID 88594631) is 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde is O=Cc1cc(C(c2ccccc2)c2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde?
The InChIKey is IYZSMFAHJCNNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-13-17-12-16(8-11-19(17)23)20(14-4-2-1-3-5-14)15-6-9-18(22)10-7-15/h1-13,20,22-23H.
What are the key properties of 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde?
2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde has a molecular weight of 304.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde is sourced from PubChem (CID 88594631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).