(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol

C17H26O2 — CID 64736309

IUPAC(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-4-17(18)14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)11-16/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t12?,13?,16?,17-/m1/s1
InChIKeyMZSYUWDHUGPMTC-YAAHMLIESA-N
MW262.39 g/mol
LogP4.33
Rot. Bonds4

About (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol

(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol (PubChem CID 64736309) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
PubChem CID64736309
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-4-17(18)14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)11-16/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t12?,13?,16?,17-/m1/s1
InChIKeyMZSYUWDHUGPMTC-YAAHMLIESA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 64737465
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
1-(chloromethyl)-4-(3,5-dimethylcyclohexyl)oxybenzene
CID 64737672
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 114519052
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
CID 104940314
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol (CID 64736309) is (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol is CC[C@@H](O)c1ccc(OC2CC(C)CC(C)C2)cc1.
What is the InChIKey of (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol?
The InChIKey is MZSYUWDHUGPMTC-YAAHMLIESA-N. The full InChI is InChI=1S/C17H26O2/c1-4-17(18)14-5-7-15(8-6-14)19-16-10-12(2)9-13(3)11-16/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t12?,13?,16?,17-/m1/s1.
What are the key properties of (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol?
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol is sourced from PubChem (CID 64736309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).