(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol

C14H20O3 — CID 102022397

IUPAC(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol
SMILESCOC(OC)[C@@H](C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H20O3/c1-11(14(16-2)17-3)13(15)10-9-12-7-5-4-6-8-12/h4-11,13-15H,1-3H3/b10-9+/t11-,13+/m0/s1
InChIKeyISRAQDCWLFWHOV-IMYBMRPDSA-N
MW236.31 g/mol
LogP2.32
Rot. Bonds6

About (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol

(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol (PubChem CID 102022397) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol
PubChem CID102022397
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol
SMILESCOC(OC)[C@@H](C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H20O3/c1-11(14(16-2)17-3)13(15)10-9-12-7-5-4-6-8-12/h4-11,13-15H,1-3H3/b10-9+/t11-,13+/m0/s1
InChIKeyISRAQDCWLFWHOV-IMYBMRPDSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
methyl (E,4R,5S)-5-hydroxy-4-methyl-3-oxo-7-phenylhept-6-enoate
CID 101199751
(3-bromo-3-methoxyprop-1-enyl)benzene
CID 118936577
3-phenylprop-2-ene-1,1-diol
CID 54432533
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
[(1E,3S,4R,5R)-3,5-dimethoxy-4,6-dimethylhepta-1,6-dienyl]benzene
CID 101250829
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol (CID 102022397) is (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol is COC(OC)[C@@H](C)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol?
The InChIKey is ISRAQDCWLFWHOV-IMYBMRPDSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(14(16-2)17-3)13(15)10-9-12-7-5-4-6-8-12/h4-11,13-15H,1-3H3/b10-9+/t11-,13+/m0/s1.
What are the key properties of (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol?
(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol has a molecular weight of 236.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 102022397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).