(1R)-1-(1-adamantyl)-1-phenylethanol

C18H24O — CID 7116226

IUPAC(1R)-1-(1-adamantyl)-1-phenylethanol
SMILESC[C@](O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O/c1-17(19,16-5-3-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-15,19H,7-12H2,1H3/t13?,14?,15?,17-,18?/m0/s1
InChIKeyCIMLZOAGOCVTHD-UUMMVJRDSA-N
MW256.39 g/mol
LogP4.11
Rot. Bonds2

About (1R)-1-(1-adamantyl)-1-phenylethanol

(1R)-1-(1-adamantyl)-1-phenylethanol (PubChem CID 7116226) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R)-1-(1-adamantyl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-1-(1-adamantyl)-1-phenylethanol
PubChem CID7116226
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(1R)-1-(1-adamantyl)-1-phenylethanol
SMILESC[C@](O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O/c1-17(19,16-5-3-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-15,19H,7-12H2,1H3/t13?,14?,15?,17-,18?/m0/s1
InChIKeyCIMLZOAGOCVTHD-UUMMVJRDSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
(2S)-2-(1-adamantyl)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 99770712
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199
2-(1-adamantyl)-2-methyl-1-phenylbutane-1,3-dione
CID 14910899
N-[1-(1-adamantyl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 3762847
(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol
CID 12983176
bis(1-adamantylimino)molybdenum(2+);bis(2-methanidylpropan-2-ylbenzene)
CID 153439114
(1S)-1-methoxy-1-phenylethanol
CID 141414609
[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane
CID 87284868
[4-[2-(1-adamantyl)propan-2-yloxycarbonyloxy]phenyl]-phenyliodanium
CID 89022185
acetic acid;1-tert-butyladamantane
CID 66772325
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate
CID 134940199

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-adamantyl)-1-phenylethanol?
The IUPAC name of (1R)-1-(1-adamantyl)-1-phenylethanol (CID 7116226) is (1R)-1-(1-adamantyl)-1-phenylethanol.
What is the SMILES notation for (1R)-1-(1-adamantyl)-1-phenylethanol?
The canonical SMILES for (1R)-1-(1-adamantyl)-1-phenylethanol is C[C@](O)(c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1R)-1-(1-adamantyl)-1-phenylethanol?
The InChIKey is CIMLZOAGOCVTHD-UUMMVJRDSA-N. The full InChI is InChI=1S/C18H24O/c1-17(19,16-5-3-2-4-6-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-15,19H,7-12H2,1H3/t13?,14?,15?,17-,18?/m0/s1.
What are the key properties of (1R)-1-(1-adamantyl)-1-phenylethanol?
(1R)-1-(1-adamantyl)-1-phenylethanol has a molecular weight of 256.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-adamantyl)-1-phenylethanol is sourced from PubChem (CID 7116226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).