2-chloro-3-methyl-4-phenylmethoxybenzaldehyde

C15H13ClO2 — CID 164892231

IUPAC2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
SMILESCc1c(OCc2ccccc2)ccc(C=O)c1Cl
InChIInChI=1S/C15H13ClO2/c1-11-14(8-7-13(9-17)15(11)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyBSKFUBPWZQYGBY-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.04
Rot. Bonds4

About 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde

2-chloro-3-methyl-4-phenylmethoxybenzaldehyde (PubChem CID 164892231) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
PubChem CID164892231
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
SMILESCc1c(OCc2ccccc2)ccc(C=O)c1Cl
InChIInChI=1S/C15H13ClO2/c1-11-14(8-7-13(9-17)15(11)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyBSKFUBPWZQYGBY-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.04
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

2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
8-phenylmethoxypyrene-1-carbaldehyde
CID 19738636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde (CID 164892231) is 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde is Cc1c(OCc2ccccc2)ccc(C=O)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde?
The InChIKey is BSKFUBPWZQYGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-14(8-7-13(9-17)15(11)16)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde?
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde has a molecular weight of 260.72 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 164892231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).