(1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol

C14H18O3 — CID 102405729

IUPAC(1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol
SMILESCO[C@H]1[C@H](O)C=C(C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H18O3/c1-10-8-12(15)14(16-2)13(10)17-9-11-6-4-3-5-7-11/h3-8,12-15H,9H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyKNLUKZZUEJHQSC-RDBSUJKOSA-N
MW234.29 g/mol
LogP1.91
Rot. Bonds4

About (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol

(1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol (PubChem CID 102405729) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol
PubChem CID102405729
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol
SMILESCO[C@H]1[C@H](O)C=C(C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H18O3/c1-10-8-12(15)14(16-2)13(10)17-9-11-6-4-3-5-7-11/h3-8,12-15H,9H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyKNLUKZZUEJHQSC-RDBSUJKOSA-N
XLogP1.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(1R,2R,5R)-2-methoxy-5-phenylmethoxycyclohexan-1-ol
CID 14666183
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 162538393
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol?
The IUPAC name of (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol (CID 102405729) is (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol is CO[C@H]1[C@H](O)C=C(C)[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol?
The InChIKey is KNLUKZZUEJHQSC-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-8-12(15)14(16-2)13(10)17-9-11-6-4-3-5-7-11/h3-8,12-15H,9H2,1-2H3/t12-,13+,14+/m1/s1.
What are the key properties of (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol?
(1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol has a molecular weight of 234.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-5-methoxy-3-methyl-4-phenylmethoxycyclopent-2-en-1-ol is sourced from PubChem (CID 102405729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).