3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol

C21H34O3 — CID 90182760

IUPAC3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol
SMILESCCC1CCC(Oc2ccc(COC(C)(C)C(C)(C)O)cc2)CC1
InChIInChI=1S/C21H34O3/c1-6-16-7-11-18(12-8-16)24-19-13-9-17(10-14-19)15-23-21(4,5)20(2,3)22/h9-10,13-14,16,18,22H,6-8,11-12,15H2,1-5H3
InChIKeySXJDCJCQJOZVDJ-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.10
Rot. Bonds7

About 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol

3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol (PubChem CID 90182760) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol
PubChem CID90182760
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol
SMILESCCC1CCC(Oc2ccc(COC(C)(C)C(C)(C)O)cc2)CC1
InChIInChI=1S/C21H34O3/c1-6-16-7-11-18(12-8-16)24-19-13-9-17(10-14-19)15-23-21(4,5)20(2,3)22/h9-10,13-14,16,18,22H,6-8,11-12,15H2,1-5H3
InChIKeySXJDCJCQJOZVDJ-UHFFFAOYSA-N
XLogP5.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202
[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
CID 64747544
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-4-(4-propan-2-ylcyclohexyl)oxybenzene
CID 144633088
4-[1-(4-cyclopropyloxyphenyl)-1-hydroxyethyl]phenol
CID 114518723
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
[4-(4-ethylcyclohexyl)oxy-2-fluorophenyl]boronic acid
CID 65203571
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol (CID 90182760) is 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol is CCC1CCC(Oc2ccc(COC(C)(C)C(C)(C)O)cc2)CC1.
What is the InChIKey of 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is SXJDCJCQJOZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O3/c1-6-16-7-11-18(12-8-16)24-19-13-9-17(10-14-19)15-23-21(4,5)20(2,3)22/h9-10,13-14,16,18,22H,6-8,11-12,15H2,1-5H3.
What are the key properties of 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol?
3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 334.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 90182760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).