4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde

C12H14O3 — CID 87176687

IUPAC4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
SMILESO=Cc1ccc(O[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H14O3/c13-8-9-4-6-10(7-5-9)15-12-3-1-2-11(12)14/h4-8,11-12,14H,1-3H2/t11-,12-/m1/s1
InChIKeySOIRQQLIUDGLNO-VXGBXAGGSA-N
MW206.24 g/mol
LogP1.79
Rot. Bonds3

About 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde

4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde (PubChem CID 87176687) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
PubChem CID87176687
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
SMILESO=Cc1ccc(O[C@@H]2CCC[C@H]2O)cc1
InChIInChI=1S/C12H14O3/c13-8-9-4-6-10(7-5-9)15-12-3-1-2-11(12)14/h4-8,11-12,14H,1-3H2/t11-,12-/m1/s1
InChIKeySOIRQQLIUDGLNO-VXGBXAGGSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
4-cyclopentyloxybenzaldehyde
CID 3152724
4-cyclopropyloxybenzaldehyde
CID 71423039
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 60880462
(Z)-3-[4-[(1S,2S)-2-hydroxycyclopentyl]oxyphenyl]-2-isocyanoprop-2-enenitrile
CID 58115939
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
2-phenoxycyclooctan-1-ol
CID 22247671
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde?
The IUPAC name of 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde (CID 87176687) is 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde.
What is the SMILES notation for 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde?
The canonical SMILES for 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde is O=Cc1ccc(O[C@@H]2CCC[C@H]2O)cc1.
What is the InChIKey of 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde?
The InChIKey is SOIRQQLIUDGLNO-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H14O3/c13-8-9-4-6-10(7-5-9)15-12-3-1-2-11(12)14/h4-8,11-12,14H,1-3H2/t11-,12-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde?
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde has a molecular weight of 206.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde is sourced from PubChem (CID 87176687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).