4-hydroxy-3-propylbenzaldehyde

C10H12O2 — CID 57447725

IUPAC4-hydroxy-3-propylbenzaldehyde
SMILESCCCc1cc(C=O)ccc1O
InChIInChI=1S/C10H12O2/c1-2-3-9-6-8(7-11)4-5-10(9)12/h4-7,12H,2-3H2,1H3
InChIKeyRWGIDMWSHOFUOC-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.16
Rot. Bonds3

About 4-hydroxy-3-propylbenzaldehyde

4-hydroxy-3-propylbenzaldehyde (PubChem CID 57447725) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-hydroxy-3-propylbenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-propylbenzaldehyde
PubChem CID57447725
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-hydroxy-3-propylbenzaldehyde
SMILESCCCc1cc(C=O)ccc1O
InChIInChI=1S/C10H12O2/c1-2-3-9-6-8(7-11)4-5-10(9)12/h4-7,12H,2-3H2,1H3
InChIKeyRWGIDMWSHOFUOC-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.16
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

4-hydroxy-3-pentylbenzaldehyde
CID 57447727
2-propylterephthalaldehyde
CID 134537626
(E)-3-(4-hydroxy-3-propylphenyl)prop-2-enoic acid
CID 174480631
(4-formyl-2-propylphenyl)methyl acetate
CID 87059825
4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde
CID 19375121
3-fluoro-4-propylbenzaldehyde
CID 88903432
4,6-dipropylbenzene-1,3-diol
CID 70496109
(4-hydroxy-3-propylphenyl) acetate
CID 151790700
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzaldehyde
CID 5365915
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
2-bromo-1-(4-hydroxy-3-propylphenyl)ethanone
CID 22641008
4-propylnaphthalene-2-carbaldehyde
CID 54544102

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propylbenzaldehyde?
The IUPAC name of 4-hydroxy-3-propylbenzaldehyde (CID 57447725) is 4-hydroxy-3-propylbenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-propylbenzaldehyde?
The canonical SMILES for 4-hydroxy-3-propylbenzaldehyde is CCCc1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-propylbenzaldehyde?
The InChIKey is RWGIDMWSHOFUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-9-6-8(7-11)4-5-10(9)12/h4-7,12H,2-3H2,1H3.
What are the key properties of 4-hydroxy-3-propylbenzaldehyde?
4-hydroxy-3-propylbenzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propylbenzaldehyde is sourced from PubChem (CID 57447725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).