1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol

C20H32O4 — CID 100922847

IUPAC1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
SMILESCOc1ccc(OC)c(C(O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1
InChIInChI=1S/C20H32O4/c1-13(2)16-8-6-14(3)10-20(16)24-12-18(21)17-11-15(22-4)7-9-19(17)23-5/h7,9,11,13-14,16,18,20-21H,6,8,10,12H2,1-5H3/t14-,16+,18?,20-/m1/s1
InChIKeyLDZFUNXRBWAXHY-QBPABBDRSA-N
MW336.47 g/mol
LogP4.21
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol

1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol (PubChem CID 100922847) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
PubChem CID100922847
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
SMILESCOc1ccc(OC)c(C(O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1
InChIInChI=1S/C20H32O4/c1-13(2)16-8-6-14(3)10-20(16)24-12-18(21)17-11-15(22-4)7-9-19(17)23-5/h7,9,11,13-14,16,18,20-21H,6,8,10,12H2,1-5H3/t14-,16+,18?,20-/m1/s1
InChIKeyLDZFUNXRBWAXHY-QBPABBDRSA-N
XLogP4.21
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol with MolForge

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 100922846
1-(3-aminophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanol
CID 62268624
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
1-(2,5-dimethoxyphenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanol
CID 62332362
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60968943
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 7087756
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
(R)-(3,4-dimethoxyphenyl)-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]methanol
CID 42427819

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol (CID 100922847) is 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol is COc1ccc(OC)c(C(O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
The InChIKey is LDZFUNXRBWAXHY-QBPABBDRSA-N. The full InChI is InChI=1S/C20H32O4/c1-13(2)16-8-6-14(3)10-20(16)24-12-18(21)17-11-15(22-4)7-9-19(17)23-5/h7,9,11,13-14,16,18,20-21H,6,8,10,12H2,1-5H3/t14-,16+,18?,20-/m1/s1.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol?
1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol has a molecular weight of 336.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol is sourced from PubChem (CID 100922847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).