(4R)-1-phenylpentane-1,4-diol

C11H16O2 — CID 13204353

IUPAC(4R)-1-phenylpentane-1,4-diol
SMILESC[C@@H](O)CCC(O)c1ccccc1
InChIInChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11?/m1/s1
InChIKeyCLCWBIKVZDPOPD-BFHBGLAWSA-N
MW180.25 g/mol
LogP1.88
Rot. Bonds4

About (4R)-1-phenylpentane-1,4-diol

(4R)-1-phenylpentane-1,4-diol (PubChem CID 13204353) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4R)-1-phenylpentane-1,4-diol.

Molecular Properties

Compound Name(4R)-1-phenylpentane-1,4-diol
PubChem CID13204353
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4R)-1-phenylpentane-1,4-diol
SMILESC[C@@H](O)CCC(O)c1ccccc1
InChIInChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11?/m1/s1
InChIKeyCLCWBIKVZDPOPD-BFHBGLAWSA-N
XLogP1.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4-triphenylbutan-1-ol
CID 141326006
5-methyl-1-phenylhexan-1-ol
CID 10997859
2-methyl-1-phenylhexane-1,5-diol
CID 104846103
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
(3-hydroxy-3-phenylpropyl)-trimethylazanium
CID 3026695
(1S)-1-phenylpentan-1-ol
CID 6992754
1-phenylpropane-1,3-diol
CID 572059
5-phenylpentane-1,2,5-triol
CID 82849671
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483

Frequently Asked Questions

What is the IUPAC name of (4R)-1-phenylpentane-1,4-diol?
The IUPAC name of (4R)-1-phenylpentane-1,4-diol (CID 13204353) is (4R)-1-phenylpentane-1,4-diol.
What is the SMILES notation for (4R)-1-phenylpentane-1,4-diol?
The canonical SMILES for (4R)-1-phenylpentane-1,4-diol is C[C@@H](O)CCC(O)c1ccccc1.
What is the InChIKey of (4R)-1-phenylpentane-1,4-diol?
The InChIKey is CLCWBIKVZDPOPD-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11?/m1/s1.
What are the key properties of (4R)-1-phenylpentane-1,4-diol?
(4R)-1-phenylpentane-1,4-diol has a molecular weight of 180.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-phenylpentane-1,4-diol is sourced from PubChem (CID 13204353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).