3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde

C15H20O2 — CID 174929207

IUPAC3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C=O)cc(C(C)C2CC2)c1O
InChIInChI=1S/C15H20O2/c1-9(2)13-6-11(8-16)7-14(15(13)17)10(3)12-4-5-12/h6-10,12,17H,4-5H2,1-3H3
InChIKeyWKMUTGGKHZJGQU-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.84
Rot. Bonds4

About 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde

3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde (PubChem CID 174929207) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde
PubChem CID174929207
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C=O)cc(C(C)C2CC2)c1O
InChIInChI=1S/C15H20O2/c1-9(2)13-6-11(8-16)7-14(15(13)17)10(3)12-4-5-12/h6-10,12,17H,4-5H2,1-3H3
InChIKeyWKMUTGGKHZJGQU-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.84
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-[3,5-bis[(1R)-1-cyclopropylethyl]-4-hydroxyphenyl]-2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
CID 145399586
2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol
CID 130324899
methyl 3-[3,5-bis(1-cyclopropylethyl)-4-hydroxyphenyl]prop-2-enoate
CID 174930250
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde
CID 174929172
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
CID 70427358
(E)-2-[(E)-1-cyano-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]ethenyl]sulfonyl-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enenitrile
CID 10186353
2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
CID 144742852
4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
CID 70633151
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
4-propan-2-ylbenzene-1,3-dicarbaldehyde
CID 86643444
propan-2-yl (2S)-2-[[[2-[(1R)-1-cyclopropylethyl]-4-[3-[(1R)-1-cyclopropylethyl]-4-hydroxy-5-propan-2-ylphenyl]-6-propan-2-ylphenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130300917

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde?
The IUPAC name of 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde (CID 174929207) is 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde.
What is the SMILES notation for 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde?
The canonical SMILES for 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde is CC(C)c1cc(C=O)cc(C(C)C2CC2)c1O.
What is the InChIKey of 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde?
The InChIKey is WKMUTGGKHZJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)13-6-11(8-16)7-14(15(13)17)10(3)12-4-5-12/h6-10,12,17H,4-5H2,1-3H3.
What are the key properties of 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde?
3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-4-hydroxy-5-propan-2-ylbenzaldehyde is sourced from PubChem (CID 174929207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).