3-(4-hydroxyphenyl)heptanal

C13H18O2 — CID 91485850

IUPAC3-(4-hydroxyphenyl)heptanal
SMILESCCCCC(CC=O)c1ccc(O)cc1
InChIInChI=1S/C13H18O2/c1-2-3-4-11(9-10-14)12-5-7-13(15)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3
InChIKeyIQAMUZJSPKSICI-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.26
Rot. Bonds6

About 3-(4-hydroxyphenyl)heptanal

3-(4-hydroxyphenyl)heptanal (PubChem CID 91485850) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)heptanal.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)heptanal
PubChem CID91485850
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-(4-hydroxyphenyl)heptanal
SMILESCCCCC(CC=O)c1ccc(O)cc1
InChIInChI=1S/C13H18O2/c1-2-3-4-11(9-10-14)12-5-7-13(15)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3
InChIKeyIQAMUZJSPKSICI-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylheptanal
CID 10954355
4-undecan-6-ylphenol
CID 66867197
4-hexadecan-7-ylphenol
CID 71320883
4-dodecan-3-ylphenol
CID 12820022
4-hexan-2-ylphenol
CID 12579179
octadecyl 3-(4-hydroxyphenyl)heptanoate
CID 174400127
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
3,6-bis(4-propan-2-ylphenyl)hexanal
CID 175140451
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
4-(2-methylheptan-3-yl)phenol
CID 174396505
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-(2-methylnon-2-en-4-yl)phenol
CID 134964205

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)heptanal?
The IUPAC name of 3-(4-hydroxyphenyl)heptanal (CID 91485850) is 3-(4-hydroxyphenyl)heptanal.
What is the SMILES notation for 3-(4-hydroxyphenyl)heptanal?
The canonical SMILES for 3-(4-hydroxyphenyl)heptanal is CCCCC(CC=O)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)heptanal?
The InChIKey is IQAMUZJSPKSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-4-11(9-10-14)12-5-7-13(15)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)heptanal?
3-(4-hydroxyphenyl)heptanal has a molecular weight of 206.29 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)heptanal is sourced from PubChem (CID 91485850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).