2-methoxy-3-tritylbenzaldehyde

C27H22O2 — CID 87578069

IUPAC2-methoxy-3-tritylbenzaldehyde
SMILESCOc1c(C=O)cccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22O2/c1-29-26-21(20-28)12-11-19-25(26)27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3
InChIKeyNBZWTBMYSWFRNY-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.89
Rot. Bonds6

About 2-methoxy-3-tritylbenzaldehyde

2-methoxy-3-tritylbenzaldehyde (PubChem CID 87578069) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-methoxy-3-tritylbenzaldehyde.

Molecular Properties

Compound Name2-methoxy-3-tritylbenzaldehyde
PubChem CID87578069
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Name2-methoxy-3-tritylbenzaldehyde
SMILESCOc1c(C=O)cccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22O2/c1-29-26-21(20-28)12-11-19-25(26)27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3
InChIKeyNBZWTBMYSWFRNY-UHFFFAOYSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hydroxy-3-tritylbenzaldehyde
CID 18676816
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2-methoxy-3-(2-methylbut-3-yn-2-yloxy)benzaldehyde
CID 10965985
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
10-methoxyanthracene-1-carbaldehyde
CID 139642405
2-methoxy-3-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 141271673
3-benzylsulfanyl-2-methoxybenzaldehyde
CID 177043048
3-acetyl-2-methoxybenzaldehyde
CID 148697874
2-formylbenzoic acid;methoxymethane
CID 90858085
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-tritylbenzaldehyde?
The IUPAC name of 2-methoxy-3-tritylbenzaldehyde (CID 87578069) is 2-methoxy-3-tritylbenzaldehyde.
What is the SMILES notation for 2-methoxy-3-tritylbenzaldehyde?
The canonical SMILES for 2-methoxy-3-tritylbenzaldehyde is COc1c(C=O)cccc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxy-3-tritylbenzaldehyde?
The InChIKey is NBZWTBMYSWFRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2/c1-29-26-21(20-28)12-11-19-25(26)27(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3.
What are the key properties of 2-methoxy-3-tritylbenzaldehyde?
2-methoxy-3-tritylbenzaldehyde has a molecular weight of 378.47 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-tritylbenzaldehyde is sourced from PubChem (CID 87578069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).