5-benzhydryl-2-methoxybenzaldehyde

C21H18O2 — CID 134942077

IUPAC5-benzhydryl-2-methoxybenzaldehyde
SMILESCOc1ccc(C(c2ccccc2)c2ccccc2)cc1C=O
InChIInChI=1S/C21H18O2/c1-23-20-13-12-18(14-19(20)15-22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3
InChIKeyGNYJDYVEHCVKSX-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.69
Rot. Bonds5

About 5-benzhydryl-2-methoxybenzaldehyde

5-benzhydryl-2-methoxybenzaldehyde (PubChem CID 134942077) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-benzhydryl-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-benzhydryl-2-methoxybenzaldehyde
PubChem CID134942077
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name5-benzhydryl-2-methoxybenzaldehyde
SMILESCOc1ccc(C(c2ccccc2)c2ccccc2)cc1C=O
InChIInChI=1S/C21H18O2/c1-23-20-13-12-18(14-19(20)15-22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3
InChIKeyGNYJDYVEHCVKSX-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.69
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

5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
CID 88594631
5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
CID 105496652
5-[1-(1,3-dioxolan-2-yl)ethyl]-2-methoxybenzaldehyde
CID 10466628
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
S-[3-(3-formyl-4-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822217
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
CID 87725227
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428

Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-2-methoxybenzaldehyde?
The IUPAC name of 5-benzhydryl-2-methoxybenzaldehyde (CID 134942077) is 5-benzhydryl-2-methoxybenzaldehyde.
What is the SMILES notation for 5-benzhydryl-2-methoxybenzaldehyde?
The canonical SMILES for 5-benzhydryl-2-methoxybenzaldehyde is COc1ccc(C(c2ccccc2)c2ccccc2)cc1C=O.
What is the InChIKey of 5-benzhydryl-2-methoxybenzaldehyde?
The InChIKey is GNYJDYVEHCVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-23-20-13-12-18(14-19(20)15-22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3.
What are the key properties of 5-benzhydryl-2-methoxybenzaldehyde?
5-benzhydryl-2-methoxybenzaldehyde has a molecular weight of 302.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-2-methoxybenzaldehyde is sourced from PubChem (CID 134942077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).