4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol

C18H28O2 — CID 101427131

IUPAC4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol
SMILESCC(O[C@H]1CC[C@@H](C)C[C@H]1C(C)C)c1ccc(O)cc1
InChIInChI=1S/C18H28O2/c1-12(2)17-11-13(3)5-10-18(17)20-14(4)15-6-8-16(19)9-7-15/h6-9,12-14,17-19H,5,10-11H2,1-4H3/t13-,14?,17+,18+/m1/s1
InChIKeyNABIGSJMIUTERO-WVMODQFZSA-N
MW276.42 g/mol
LogP4.93
Rot. Bonds4

About 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol

4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol (PubChem CID 101427131) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol.

Molecular Properties

Compound Name4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol
PubChem CID101427131
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol
SMILESCC(O[C@H]1CC[C@@H](C)C[C@H]1C(C)C)c1ccc(O)cc1
InChIInChI=1S/C18H28O2/c1-12(2)17-11-13(3)5-10-18(17)20-14(4)15-6-8-16(19)9-7-15/h6-9,12-14,17-19H,5,10-11H2,1-4H3/t13-,14?,17+,18+/m1/s1
InChIKeyNABIGSJMIUTERO-WVMODQFZSA-N
XLogP4.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol with MolForge

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-hydroxyphenyl)-2-methoxyacetate
CID 174351886
4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
CID 176616268
4-[bis(3-methylcyclohexyl)methyl]phenol
CID 57113131
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl 4-hydroxybenzoate
CID 69438928
1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
CID 102295766
(5-methyl-2-propan-2-ylcyclohexyl) N-[3-(cyanomethylamino)-2-(4-hydroxyphenyl)-3-oxopropyl]carbamate
CID 87993550
5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107705663
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(2R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methyl-3-phenylbutanoate
CID 59897726
2-hydroxy-2-[4-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]acetic acid
CID 166450076
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol?
The IUPAC name of 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol (CID 101427131) is 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol.
What is the SMILES notation for 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol?
The canonical SMILES for 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol is CC(O[C@H]1CC[C@@H](C)C[C@H]1C(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol?
The InChIKey is NABIGSJMIUTERO-WVMODQFZSA-N. The full InChI is InChI=1S/C18H28O2/c1-12(2)17-11-13(3)5-10-18(17)20-14(4)15-6-8-16(19)9-7-15/h6-9,12-14,17-19H,5,10-11H2,1-4H3/t13-,14?,17+,18+/m1/s1.
What are the key properties of 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol?
4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexyl]oxyethyl]phenol is sourced from PubChem (CID 101427131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).