2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde

C17H22O2 — CID 174929172

IUPAC2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde
SMILESC[C@@H](c1c(O)ccc(C=O)c1[C@H](C)C1CC1)C1CC1
InChIInChI=1S/C17H22O2/c1-10(12-3-4-12)16-14(9-18)7-8-15(19)17(16)11(2)13-5-6-13/h7-13,19H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyCZVOMJMWONBKES-GHMZBOCLSA-N
MW258.36 g/mol
LogP4.23
Rot. Bonds5

About 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde

2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde (PubChem CID 174929172) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde
PubChem CID174929172
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde
SMILESC[C@@H](c1c(O)ccc(C=O)c1[C@H](C)C1CC1)C1CC1
InChIInChI=1S/C17H22O2/c1-10(12-3-4-12)16-14(9-18)7-8-15(19)17(16)11(2)13-5-6-13/h7-13,19H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeyCZVOMJMWONBKES-GHMZBOCLSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.23
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

3,5-Di-tert-butyl-4-hydroxybenzaldehyde
CID 73219
4'-Hydroxy-3'-methylacetophenone
CID 70135
3,5-Dimethyl-4-hydroxybenzaldehyde
CID 75222
6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde
CID 16745396
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
CID 442916
4-Hydroxy-1-naphthaldehyde
CID 344290
4-Hydroxy-2-methylacetophenone
CID 70133
Mansonone G
CID 608583
Eutypine
CID 129326
4-Hydroxy-3,5-bis(isopropyl)benzaldehyde
CID 82712
4-Hydroxy-3-methylbenzaldehyde
CID 139901
4-Hydroxy-7-methyl-1-indanone
CID 5005111

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde?
The IUPAC name of 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde (CID 174929172) is 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde.
What is the SMILES notation for 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde?
The canonical SMILES for 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde is C[C@@H](c1c(O)ccc(C=O)c1[C@H](C)C1CC1)C1CC1.
What is the InChIKey of 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde?
The InChIKey is CZVOMJMWONBKES-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H22O2/c1-10(12-3-4-12)16-14(9-18)7-8-15(19)17(16)11(2)13-5-6-13/h7-13,19H,3-6H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde?
2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde has a molecular weight of 258.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(1R)-1-cyclopropylethyl]-4-hydroxybenzaldehyde is sourced from PubChem (CID 174929172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).