(Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol

C13H18O3 — CID 134905022

IUPAC(Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol
SMILESCOCO/C=C\[C@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-11(8-9-16-10-15-2)13(14)12-6-4-3-5-7-12/h3-9,11,13-14H,10H2,1-2H3/b9-8-/t11-,13-/m0/s1
InChIKeyZKZCFDOVNVXQIU-HRPRIBIWSA-N
MW222.28 g/mol
LogP2.49
Rot. Bonds6

About (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol

(Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol (PubChem CID 134905022) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol
PubChem CID134905022
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol
SMILESCOCO/C=C\[C@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-11(8-9-16-10-15-2)13(14)12-6-4-3-5-7-12/h3-9,11,13-14H,10H2,1-2H3/b9-8-/t11-,13-/m0/s1
InChIKeyZKZCFDOVNVXQIU-HRPRIBIWSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-1-phenyl-4-trimethylgermylbut-3-en-1-ol
CID 10707756
methyl (2S,3S)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylbutanoate
CID 101428067
(E,1S,2R)-2-methyl-1-phenyl-5-trimethylsilylpent-3-en-1-ol
CID 102275587
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
(1S,2S)-2-(methoxymethoxy)-1-phenylbut-3-yn-1-ol
CID 10655873
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
dimethyl 2-[(E)-4-phenylpent-2-enyl]propanedioate
CID 122378801
1,2-diphenylethane-1,2-diol
CID 159073808
methyl (2R,3R)-3-hydroxy-3-phenyl-2-phenylsulfanylpropanoate
CID 10108177
2-(ethylamino)-3-methoxy-1-phenylpropan-1-ol
CID 23396953
methyl 3-hydroxy-2-methyl-5-phenylhexanoate
CID 62394189

Frequently Asked Questions

What is the IUPAC name of (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol?
The IUPAC name of (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol (CID 134905022) is (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol?
The canonical SMILES for (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol is COCO/C=C\[C@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol?
The InChIKey is ZKZCFDOVNVXQIU-HRPRIBIWSA-N. The full InChI is InChI=1S/C13H18O3/c1-11(8-9-16-10-15-2)13(14)12-6-4-3-5-7-12/h3-9,11,13-14H,10H2,1-2H3/b9-8-/t11-,13-/m0/s1.
What are the key properties of (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol?
(Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,2S)-4-(methoxymethoxy)-2-methyl-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 134905022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).