2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol

C17H26O2 — CID 57170894

IUPAC2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol
SMILESCC(CO)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1
InChIInChI=1S/C17H26O2/c1-13-8-9-16(14(2)11-18)17(10-13)19-12-15-6-4-3-5-7-15/h3-7,13-14,16-18H,8-12H2,1-2H3/t13-,14?,16+,17-/m1/s1
InChIKeyJRZDGASQXUEZIR-XRIDFMPVSA-N
MW262.39 g/mol
LogP3.64
Rot. Bonds5

About 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol

2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol (PubChem CID 57170894) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol.

Molecular Properties

Compound Name2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol
PubChem CID57170894
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol
SMILESCC(CO)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1
InChIInChI=1S/C17H26O2/c1-13-8-9-16(14(2)11-18)17(10-13)19-12-15-6-4-3-5-7-15/h3-7,13-14,16-18H,8-12H2,1-2H3/t13-,14?,16+,17-/m1/s1
InChIKeyJRZDGASQXUEZIR-XRIDFMPVSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
CID 43292101
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
benzyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]prop-2-enoate
CID 11255989
(3R,4S,5R,6R)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 102257251
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
(2S)-2-methyl-2-[(1R,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]oxirane
CID 171358532
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol?
The IUPAC name of 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol (CID 57170894) is 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol.
What is the SMILES notation for 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol?
The canonical SMILES for 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol is CC(CO)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1.
What is the InChIKey of 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol?
The InChIKey is JRZDGASQXUEZIR-XRIDFMPVSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-8-9-16(14(2)11-18)17(10-13)19-12-15-6-4-3-5-7-15/h3-7,13-14,16-18H,8-12H2,1-2H3/t13-,14?,16+,17-/m1/s1.
What are the key properties of 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol?
2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol is sourced from PubChem (CID 57170894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).