(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal

C15H20O3 — CID 71665399

IUPAC(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
SMILESC=C[C@@H](CCCC=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H20O3/c1-3-14(6-4-5-11-16)18-12-13-7-9-15(17-2)10-8-13/h3,7-11,14H,1,4-6,12H2,2H3/t14-/m0/s1
InChIKeyKPXRWMYEWYXHGU-AWEZNQCLSA-N
MW248.32 g/mol
LogP3.14
Rot. Bonds9

About (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal

(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal (PubChem CID 71665399) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal.

Molecular Properties

Compound Name(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
PubChem CID71665399
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
SMILESC=C[C@@H](CCCC=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H20O3/c1-3-14(6-4-5-11-16)18-12-13-7-9-15(17-2)10-8-13/h3,7-11,14H,1,4-6,12H2,2H3/t14-/m0/s1
InChIKeyKPXRWMYEWYXHGU-AWEZNQCLSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal 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

(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid
CID 54672585
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide
CID 145473731
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
methane;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentanal;(4R)-4-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentan-1-ol
CID 160895993
[(2S,3S)-2-[(4-methoxyphenyl)methoxy]hex-5-en-3-yl] (2S)-2-methylhept-6-enoate
CID 10893760
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal?
The IUPAC name of (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal (CID 71665399) is (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal.
What is the SMILES notation for (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal?
The canonical SMILES for (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal is C=C[C@@H](CCCC=O)OCc1ccc(OC)cc1.
What is the InChIKey of (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal?
The InChIKey is KPXRWMYEWYXHGU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-14(6-4-5-11-16)18-12-13-7-9-15(17-2)10-8-13/h3,7-11,14H,1,4-6,12H2,2H3/t14-/m0/s1.
What are the key properties of (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal?
(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal has a molecular weight of 248.32 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal is sourced from PubChem (CID 71665399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).