(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol

C13H16O3 — CID 10878674

IUPAC(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
SMILESC#C[C@@H](O)CCOCc1ccc(OC)cc1
InChIInChI=1S/C13H16O3/c1-3-12(14)8-9-16-10-11-4-6-13(15-2)7-5-11/h1,4-7,12,14H,8-10H2,2H3/t12-/m1/s1
InChIKeyFIOSYKCGLHCUCW-GFCCVEGCSA-N
MW220.27 g/mol
LogP1.60
Rot. Bonds6

About (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol

(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol (PubChem CID 10878674) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
PubChem CID10878674
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
SMILESC#C[C@@H](O)CCOCc1ccc(OC)cc1
InChIInChI=1S/C13H16O3/c1-3-12(14)8-9-16-10-11-4-6-13(15-2)7-5-11/h1,4-7,12,14H,8-10H2,2H3/t12-/m1/s1
InChIKeyFIOSYKCGLHCUCW-GFCCVEGCSA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol 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

(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
CID 11013916
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
CID 59913497
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
1-(3-isocyanobutoxymethyl)-4-methoxybenzene
CID 86075538
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol?
The IUPAC name of (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol (CID 10878674) is (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol.
What is the SMILES notation for (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol?
The canonical SMILES for (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol is C#C[C@@H](O)CCOCc1ccc(OC)cc1.
What is the InChIKey of (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol?
The InChIKey is FIOSYKCGLHCUCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-12(14)8-9-16-10-11-4-6-13(15-2)7-5-11/h1,4-7,12,14H,8-10H2,2H3/t12-/m1/s1.
What are the key properties of (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol?
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol has a molecular weight of 220.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol is sourced from PubChem (CID 10878674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).