(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol

C17H24O4 — CID 102050988

IUPAC(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol
SMILESCOCCOCOC1=CCCC[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C17H24O4/c1-19-11-12-20-13-21-16-10-6-5-9-15(16)17(18)14-7-3-2-4-8-14/h2-4,7-8,10,15,17-18H,5-6,9,11-13H2,1H3/t15-,17-/m0/s1
InChIKeyPJOSBVWCJQWPQW-RDJZCZTQSA-N
MW292.38 g/mol
LogP3.04
Rot. Bonds8

About (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol

(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol (PubChem CID 102050988) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol
PubChem CID102050988
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol
SMILESCOCCOCOC1=CCCC[C@@H]1[C@@H](O)c1ccccc1
InChIInChI=1S/C17H24O4/c1-19-11-12-20-13-21-16-10-6-5-9-15(16)17(18)14-7-3-2-4-8-14/h2-4,7-8,10,15,17-18H,5-6,9,11-13H2,1H3/t15-,17-/m0/s1
InChIKeyPJOSBVWCJQWPQW-RDJZCZTQSA-N
XLogP3.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
CID 76530110
1-[(R)-chloro(phenyl)methyl]-3-(2-methoxyethoxymethoxy)benzene
CID 129363855
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
(R)-(2-methylidenecyclohexyl)-phenylmethanol
CID 101364678
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727
[(R)-cyclohexen-1-yl(2-methoxyethoxy)methyl]benzene
CID 101068090
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731
1-[chloro-[3-(2-methoxyethoxymethoxy)phenyl]methyl]-4-phenylbenzene
CID 10738710
2-[3-(2-methoxyethoxy)propylsulfanyl]benzoic acid
CID 103408928

Frequently Asked Questions

What is the IUPAC name of (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol?
The IUPAC name of (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol (CID 102050988) is (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol?
The canonical SMILES for (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol is COCCOCOC1=CCCC[C@@H]1[C@@H](O)c1ccccc1.
What is the InChIKey of (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol?
The InChIKey is PJOSBVWCJQWPQW-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-11-12-20-13-21-16-10-6-5-9-15(16)17(18)14-7-3-2-4-8-14/h2-4,7-8,10,15,17-18H,5-6,9,11-13H2,1H3/t15-,17-/m0/s1.
What are the key properties of (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol?
(R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol has a molecular weight of 292.38 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1R)-2-(2-methoxyethoxymethoxy)cyclohex-2-en-1-yl]-phenylmethanol is sourced from PubChem (CID 102050988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).