3-methoxy-5-methyl-4-pentylbenzaldehyde

C14H20O2 — CID 165123524

IUPAC3-methoxy-5-methyl-4-pentylbenzaldehyde
SMILESCCCCCc1c(C)cc(C=O)cc1OC
InChIInChI=1S/C14H20O2/c1-4-5-6-7-13-11(2)8-12(10-15)9-14(13)16-3/h8-10H,4-7H2,1-3H3
InChIKeyAGDRJWPVXIZUKZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.55
Rot. Bonds6

About 3-methoxy-5-methyl-4-pentylbenzaldehyde

3-methoxy-5-methyl-4-pentylbenzaldehyde (PubChem CID 165123524) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-pentylbenzaldehyde.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-pentylbenzaldehyde
PubChem CID165123524
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methoxy-5-methyl-4-pentylbenzaldehyde
SMILESCCCCCc1c(C)cc(C=O)cc1OC
InChIInChI=1S/C14H20O2/c1-4-5-6-7-13-11(2)8-12(10-15)9-14(13)16-3/h8-10H,4-7H2,1-3H3
InChIKeyAGDRJWPVXIZUKZ-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-3-methoxy-5-methylbenzoic acid
CID 155978922
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
CID 87769001
CID 87769001
3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 141429039
3,4,5-trihexoxybenzaldehyde
CID 15316903
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3-hexyl-4-methoxy-6-undecylpyran-2-one
CID 18997489
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
3-butoxy-4-methylbenzaldehyde
CID 91636264

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-4-pentylbenzaldehyde?
The IUPAC name of 3-methoxy-5-methyl-4-pentylbenzaldehyde (CID 165123524) is 3-methoxy-5-methyl-4-pentylbenzaldehyde.
What is the SMILES notation for 3-methoxy-5-methyl-4-pentylbenzaldehyde?
The canonical SMILES for 3-methoxy-5-methyl-4-pentylbenzaldehyde is CCCCCc1c(C)cc(C=O)cc1OC.
What is the InChIKey of 3-methoxy-5-methyl-4-pentylbenzaldehyde?
The InChIKey is AGDRJWPVXIZUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-6-7-13-11(2)8-12(10-15)9-14(13)16-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-5-methyl-4-pentylbenzaldehyde?
3-methoxy-5-methyl-4-pentylbenzaldehyde has a molecular weight of 220.31 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-4-pentylbenzaldehyde is sourced from PubChem (CID 165123524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).