4-chlorobenzaldehyde;1-methoxy-2-methylbenzene

C15H15ClO2 — CID 144659378

IUPAC4-chlorobenzaldehyde;1-methoxy-2-methylbenzene
SMILESCOc1ccccc1C.O=Cc1ccc(Cl)cc1
InChIInChI=1S/C8H10O.C7H5ClO/c1-7-5-3-4-6-8(7)9-2;8-7-3-1-6(5-9)2-4-7/h3-6H,1-2H3;1-5H
InChIKeyPRNALBDVBPSDGB-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.16
Rot. Bonds2

About 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene

4-chlorobenzaldehyde;1-methoxy-2-methylbenzene (PubChem CID 144659378) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-chlorobenzaldehyde;1-methoxy-2-methylbenzene
PubChem CID144659378
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name4-chlorobenzaldehyde;1-methoxy-2-methylbenzene
SMILESCOc1ccccc1C.O=Cc1ccc(Cl)cc1
InChIInChI=1S/C8H10O.C7H5ClO/c1-7-5-3-4-6-8(7)9-2;8-7-3-1-6(5-9)2-4-7/h3-6H,1-2H3;1-5H
InChIKeyPRNALBDVBPSDGB-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.16
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

benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
CID 158703985
4-chlorobenzaldehyde
CID 7726
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
1-chloro-4-[(2-methylphenoxy)methoxy]benzene
CID 59416592
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
4-methoxybenzaldehyde;toluene
CID 174462701
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150
(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal
CID 154715578

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene?
The IUPAC name of 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene (CID 144659378) is 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene?
The canonical SMILES for 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene is COc1ccccc1C.O=Cc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene?
The InChIKey is PRNALBDVBPSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H5ClO/c1-7-5-3-4-6-8(7)9-2;8-7-3-1-6(5-9)2-4-7/h3-6H,1-2H3;1-5H.
What are the key properties of 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene?
4-chlorobenzaldehyde;1-methoxy-2-methylbenzene has a molecular weight of 262.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzaldehyde;1-methoxy-2-methylbenzene is sourced from PubChem (CID 144659378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).