(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol

C17H26O2 — CID 131850860

IUPAC(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
SMILESC[C@]1(CCCOCc2ccccc2)CCCCC1O
InChIInChI=1S/C17H26O2/c1-17(11-6-5-10-16(17)18)12-7-13-19-14-15-8-3-2-4-9-15/h2-4,8-9,16,18H,5-7,10-14H2,1H3/t16?,17-/m1/s1
InChIKeyHGJKXXDDEUGUSC-ZYMOGRSISA-N
MW262.39 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol

(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol (PubChem CID 131850860) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
PubChem CID131850860
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
SMILESC[C@]1(CCCOCc2ccccc2)CCCCC1O
InChIInChI=1S/C17H26O2/c1-17(11-6-5-10-16(17)18)12-7-13-19-14-15-8-3-2-4-9-15/h2-4,8-9,16,18H,5-7,10-14H2,1H3/t16?,17-/m1/s1
InChIKeyHGJKXXDDEUGUSC-ZYMOGRSISA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
benzyl 2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 131741828
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
(1R,5S)-4,4-dimethyl-1-(3-phenylmethoxypropyl)-2,3,8-trioxabicyclo[3.2.1]octane
CID 102280446
cis-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methylcyclohexan-1-ol
CID 11033471
(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 11162460
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
3-[1-(chloromethyl)-2-methylcyclopropyl]propoxymethylbenzene
CID 165445447
[(4R,5S)-2,2,5-trimethyl-5-(3-phenylmethoxypropyl)-1,3-dioxolan-4-yl]methanol
CID 10968408
(4R,5S)-7-(4-phenylmethoxybutyl)-7-azaspiro[4.5]decan-4-ol
CID 135098288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol?
The IUPAC name of (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol (CID 131850860) is (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol.
What is the SMILES notation for (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol?
The canonical SMILES for (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol is C[C@]1(CCCOCc2ccccc2)CCCCC1O.
What is the InChIKey of (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol?
The InChIKey is HGJKXXDDEUGUSC-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H26O2/c1-17(11-6-5-10-16(17)18)12-7-13-19-14-15-8-3-2-4-9-15/h2-4,8-9,16,18H,5-7,10-14H2,1H3/t16?,17-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol?
(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 131850860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).