(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol

C18H24O3 — CID 10356773

IUPAC(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol
SMILESC=C(C)[C@@H]1CCC(C)=C(O)[C@H]1c1ccccc1OCOC
InChIInChI=1S/C18H24O3/c1-12(2)14-10-9-13(3)18(19)17(14)15-7-5-6-8-16(15)21-11-20-4/h5-8,14,17,19H,1,9-11H2,2-4H3/t14-,17+/m0/s1
InChIKeyVUCLFAVFALZJIV-WMLDXEAASA-N
MW288.39 g/mol
LogP4.57
Rot. Bonds5

About (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol

(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol (PubChem CID 10356773) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol.

Molecular Properties

Compound Name(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol
PubChem CID10356773
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol
SMILESC=C(C)[C@@H]1CCC(C)=C(O)[C@H]1c1ccccc1OCOC
InChIInChI=1S/C18H24O3/c1-12(2)14-10-9-13(3)18(19)17(14)15-7-5-6-8-16(15)21-11-20-4/h5-8,14,17,19H,1,9-11H2,2-4H3/t14-,17+/m0/s1
InChIKeyVUCLFAVFALZJIV-WMLDXEAASA-N
XLogP4.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
CID 54125386
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
[(1S,2R)-2-[2-(methoxymethoxy)phenyl]cyclohexyl] hexanoate
CID 57005677
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767
2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
CID 147825187
dimethoxy-[2-(methoxymethoxy)phenyl]borane
CID 123184481
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
triethyl-[2-(methoxymethoxy)phenyl]silane
CID 69371927
2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
[2-(methoxymethoxy)phenyl]methanol
CID 10920904

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol?
The IUPAC name of (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol (CID 10356773) is (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol.
What is the SMILES notation for (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol?
The canonical SMILES for (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol is C=C(C)[C@@H]1CCC(C)=C(O)[C@H]1c1ccccc1OCOC.
What is the InChIKey of (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol?
The InChIKey is VUCLFAVFALZJIV-WMLDXEAASA-N. The full InChI is InChI=1S/C18H24O3/c1-12(2)14-10-9-13(3)18(19)17(14)15-7-5-6-8-16(15)21-11-20-4/h5-8,14,17,19H,1,9-11H2,2-4H3/t14-,17+/m0/s1.
What are the key properties of (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol?
(5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol has a molecular weight of 288.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[2-(methoxymethoxy)phenyl]-2-methyl-5-prop-1-en-2-ylcyclohexen-1-ol is sourced from PubChem (CID 10356773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).