(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol

C17H26O2 — CID 46915097

IUPAC(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
SMILESO[C@H](CCC[C@H](O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1,3-4,8-9,15-19H,2,5-7,10-13H2/t16-,17+/m1/s1
InChIKeyIXUGMQFSMGMRLF-SJORKVTESA-N
MW262.39 g/mol
LogP3.83
Rot. Bonds6

About (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol

(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol (PubChem CID 46915097) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol.

Molecular Properties

Compound Name(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
PubChem CID46915097
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
SMILESO[C@H](CCC[C@H](O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1,3-4,8-9,15-19H,2,5-7,10-13H2/t16-,17+/m1/s1
InChIKeyIXUGMQFSMGMRLF-SJORKVTESA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-cyclopentyl-3-phenylpropan-1-ol
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(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
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1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
CID 10683740
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
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1,4,4-triphenylbutan-1-ol
CID 141326006
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol?
The IUPAC name of (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol (CID 46915097) is (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol.
What is the SMILES notation for (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol?
The canonical SMILES for (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol is O[C@H](CCC[C@H](O)C1CCCCC1)c1ccccc1.
What is the InChIKey of (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol?
The InChIKey is IXUGMQFSMGMRLF-SJORKVTESA-N. The full InChI is InChI=1S/C17H26O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1,3-4,8-9,15-19H,2,5-7,10-13H2/t16-,17+/m1/s1.
What are the key properties of (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol?
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol has a molecular weight of 262.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol is sourced from PubChem (CID 46915097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).