7-(3-methoxyphenyl)heptanal

C14H20O2 — CID 86640154

IUPAC7-(3-methoxyphenyl)heptanal
SMILESCOc1cccc(CCCCCCC=O)c1
InChIInChI=1S/C14H20O2/c1-16-14-10-7-9-13(12-14)8-5-3-2-4-6-11-15/h7,9-12H,2-6,8H2,1H3
InChIKeyHAIBGHPKNFMYEJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.39
Rot. Bonds8

About 7-(3-methoxyphenyl)heptanal

7-(3-methoxyphenyl)heptanal (PubChem CID 86640154) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)heptanal.

Molecular Properties

Compound Name7-(3-methoxyphenyl)heptanal
PubChem CID86640154
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name7-(3-methoxyphenyl)heptanal
SMILESCOc1cccc(CCCCCCC=O)c1
InChIInChI=1S/C14H20O2/c1-16-14-10-7-9-13(12-14)8-5-3-2-4-6-11-15/h7,9-12H,2-6,8H2,1H3
InChIKeyHAIBGHPKNFMYEJ-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.39
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

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CID 154507578
[3-(5-oxopentyl)phenyl] propanoate
CID 54228537
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
methyl 3-(5-oxopentyl)benzoate
CID 13244315
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
8-(3-acetylphenyl)octanal
CID 177486037
5-(3-aminophenyl)pentanal
CID 54510654
6-(3-methoxyphenyl)-1-(4-methoxyphenyl)hexan-1-one
CID 164679633

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)heptanal?
The IUPAC name of 7-(3-methoxyphenyl)heptanal (CID 86640154) is 7-(3-methoxyphenyl)heptanal.
What is the SMILES notation for 7-(3-methoxyphenyl)heptanal?
The canonical SMILES for 7-(3-methoxyphenyl)heptanal is COc1cccc(CCCCCCC=O)c1.
What is the InChIKey of 7-(3-methoxyphenyl)heptanal?
The InChIKey is HAIBGHPKNFMYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-16-14-10-7-9-13(12-14)8-5-3-2-4-6-11-15/h7,9-12H,2-6,8H2,1H3.
What are the key properties of 7-(3-methoxyphenyl)heptanal?
7-(3-methoxyphenyl)heptanal has a molecular weight of 220.31 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)heptanal is sourced from PubChem (CID 86640154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).