(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol

C15H20O3 — CID 46896141

IUPAC(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
SMILESC#CC(O)C[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H20O3/c1-4-14(16)9-12(2)10-18-11-13-5-7-15(17-3)8-6-13/h1,5-8,12,14,16H,9-11H2,2-3H3/t12-,14?/m1/s1
InChIKeyVCUNPCXEKRHHIZ-PUODRLBUSA-N
MW248.32 g/mol
LogP2.23
Rot. Bonds7

About (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol

(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol (PubChem CID 46896141) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol.

Molecular Properties

Compound Name(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
PubChem CID46896141
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
SMILESC#CC(O)C[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C15H20O3/c1-4-14(16)9-12(2)10-18-11-13-5-7-15(17-3)8-6-13/h1,5-8,12,14,16H,9-11H2,2-3H3/t12-,14?/m1/s1
InChIKeyVCUNPCXEKRHHIZ-PUODRLBUSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
1-[(4-methoxyphenyl)methoxy]but-3-yn-2-yl acetate
CID 102441448
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(4S,5R)-6-[(4-methoxyphenyl)methoxy]-4-methylhex-2-yne-1,5-diol
CID 11747474
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983

Frequently Asked Questions

What is the IUPAC name of (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol?
The IUPAC name of (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol (CID 46896141) is (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol.
What is the SMILES notation for (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol?
The canonical SMILES for (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol is C#CC(O)C[C@@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol?
The InChIKey is VCUNPCXEKRHHIZ-PUODRLBUSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-14(16)9-12(2)10-18-11-13-5-7-15(17-3)8-6-13/h1,5-8,12,14,16H,9-11H2,2-3H3/t12-,14?/m1/s1.
What are the key properties of (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol?
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol has a molecular weight of 248.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol is sourced from PubChem (CID 46896141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).