2-phenylmethoxy-5-propan-2-ylbenzaldehyde

C17H18O2 — CID 87719757

IUPAC2-phenylmethoxy-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(OCc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H18O2/c1-13(2)15-8-9-17(16(10-15)11-18)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyKXJNULIJGKKUQF-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.20
Rot. Bonds5

About 2-phenylmethoxy-5-propan-2-ylbenzaldehyde

2-phenylmethoxy-5-propan-2-ylbenzaldehyde (PubChem CID 87719757) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-phenylmethoxy-5-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-5-propan-2-ylbenzaldehyde
PubChem CID87719757
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-phenylmethoxy-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(OCc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H18O2/c1-13(2)15-8-9-17(16(10-15)11-18)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyKXJNULIJGKKUQF-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
CID 54795214
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 172993957
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-propan-2-ylbenzaldehyde?
The IUPAC name of 2-phenylmethoxy-5-propan-2-ylbenzaldehyde (CID 87719757) is 2-phenylmethoxy-5-propan-2-ylbenzaldehyde.
What is the SMILES notation for 2-phenylmethoxy-5-propan-2-ylbenzaldehyde?
The canonical SMILES for 2-phenylmethoxy-5-propan-2-ylbenzaldehyde is CC(C)c1ccc(OCc2ccccc2)c(C=O)c1.
What is the InChIKey of 2-phenylmethoxy-5-propan-2-ylbenzaldehyde?
The InChIKey is KXJNULIJGKKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)15-8-9-17(16(10-15)11-18)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-phenylmethoxy-5-propan-2-ylbenzaldehyde?
2-phenylmethoxy-5-propan-2-ylbenzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-propan-2-ylbenzaldehyde is sourced from PubChem (CID 87719757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).