trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde

C14H18O2 — CID 135039485

IUPACtrans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1CCCOCc1ccccc1
InChIInChI=1S/C14H18O2/c15-10-14-9-13(14)7-4-8-16-11-12-5-2-1-3-6-12/h1-3,5-6,10,13-14H,4,7-9,11H2/t13-,14+/m1/s1
InChIKeyZCGHDCPZMUCOJS-KGLIPLIRSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds7

About trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde

trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde (PubChem CID 135039485) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
PubChem CID135039485
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nametrans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1CCCOCc1ccccc1
InChIInChI=1S/C14H18O2/c15-10-14-9-13(14)7-4-8-16-11-12-5-2-1-3-6-12/h1-3,5-6,10,13-14H,4,7-9,11H2/t13-,14+/m1/s1
InChIKeyZCGHDCPZMUCOJS-KGLIPLIRSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
(1R,2S,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 134930284
4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734
5-(2-phenylmethoxyethyl)-1,3-dioxane-2-carbaldehyde
CID 174752217
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
(3aR,4S,5S,6aS)-4-hydroxy-5-(5-phenylmethoxypentyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22858624
[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
CID 100952584
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
CID 11075746
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
(4R)-3-(4-phenylmethoxybutanoyl)-1,2-thiazolidine-4-carbaldehyde
CID 18634474

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde?
The IUPAC name of trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde (CID 135039485) is trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde is O=C[C@@H]1C[C@H]1CCCOCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde?
The InChIKey is ZCGHDCPZMUCOJS-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18O2/c15-10-14-9-13(14)7-4-8-16-11-12-5-2-1-3-6-12/h1-3,5-6,10,13-14H,4,7-9,11H2/t13-,14+/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde?
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 135039485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).