2-butyl-5-methoxybenzaldehyde

C12H16O2 — CID 10631601

IUPAC2-butyl-5-methoxybenzaldehyde
SMILESCCCCc1ccc(OC)cc1C=O
InChIInChI=1S/C12H16O2/c1-3-4-5-10-6-7-12(14-2)8-11(10)9-13/h6-9H,3-5H2,1-2H3
InChIKeyTVXQPMICSJEZJM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.85
Rot. Bonds5

About 2-butyl-5-methoxybenzaldehyde

2-butyl-5-methoxybenzaldehyde (PubChem CID 10631601) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-butyl-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-butyl-5-methoxybenzaldehyde
PubChem CID10631601
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-butyl-5-methoxybenzaldehyde
SMILESCCCCc1ccc(OC)cc1C=O
InChIInChI=1S/C12H16O2/c1-3-4-5-10-6-7-12(14-2)8-11(10)9-13/h6-9H,3-5H2,1-2H3
InChIKeyTVXQPMICSJEZJM-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.85
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

1,2-dibutyl-4-methoxybenzene
CID 153315966
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2-formyl-4-methoxyphenyl)acetonitrile
CID 55265214
5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
CID 117374187
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methoxybenzaldehyde?
The IUPAC name of 2-butyl-5-methoxybenzaldehyde (CID 10631601) is 2-butyl-5-methoxybenzaldehyde.
What is the SMILES notation for 2-butyl-5-methoxybenzaldehyde?
The canonical SMILES for 2-butyl-5-methoxybenzaldehyde is CCCCc1ccc(OC)cc1C=O.
What is the InChIKey of 2-butyl-5-methoxybenzaldehyde?
The InChIKey is TVXQPMICSJEZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-5-10-6-7-12(14-2)8-11(10)9-13/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-butyl-5-methoxybenzaldehyde?
2-butyl-5-methoxybenzaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methoxybenzaldehyde is sourced from PubChem (CID 10631601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).