5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene

C18H28O3 — CID 139373079

IUPAC5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
SMILESCOc1cc([C@@H](C)CC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H28O3/c1-13(10-14-8-6-5-7-9-14)15-11-16(19-2)18(21-4)17(12-15)20-3/h11-14H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyNMMLVZIIAUVRNI-ZDUSSCGKSA-N
MW292.42 g/mol
LogP4.79
Rot. Bonds6

About 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene

5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene (PubChem CID 139373079) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
PubChem CID139373079
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
SMILESCOc1cc([C@@H](C)CC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H28O3/c1-13(10-14-8-6-5-7-9-14)15-11-16(19-2)18(21-4)17(12-15)20-3/h11-14H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyNMMLVZIIAUVRNI-ZDUSSCGKSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
N-(1-cyclobutylpropan-2-yl)-3,4,5-trimethoxyaniline
CID 115916875
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
cyclohexylmethyl-[3-[1-(3,4,5-trimethoxyphenyl)ethylamino]propyl]phosphinic acid
CID 67741861
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene (CID 139373079) is 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene is COc1cc([C@@H](C)CC2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene?
The InChIKey is NMMLVZIIAUVRNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28O3/c1-13(10-14-8-6-5-7-9-14)15-11-16(19-2)18(21-4)17(12-15)20-3/h11-14H,5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene?
5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene has a molecular weight of 292.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 139373079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).