(1R,5S)-1-phenyldecane-1,5-diol

C16H26O2 — CID 10879541

IUPAC(1R,5S)-1-phenyldecane-1,5-diol
SMILESCCCCC[C@H](O)CCC[C@@H](O)c1ccccc1
InChIInChI=1S/C16H26O2/c1-2-3-5-11-15(17)12-8-13-16(18)14-9-6-4-7-10-14/h4,6-7,9-10,15-18H,2-3,5,8,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyUBDBHGAHCQUJME-JKSUJKDBSA-N
MW250.38 g/mol
LogP3.83
Rot. Bonds9

About (1R,5S)-1-phenyldecane-1,5-diol

(1R,5S)-1-phenyldecane-1,5-diol (PubChem CID 10879541) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1R,5S)-1-phenyldecane-1,5-diol.

Molecular Properties

Compound Name(1R,5S)-1-phenyldecane-1,5-diol
PubChem CID10879541
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1R,5S)-1-phenyldecane-1,5-diol
SMILESCCCCC[C@H](O)CCC[C@@H](O)c1ccccc1
InChIInChI=1S/C16H26O2/c1-2-3-5-11-15(17)12-8-13-16(18)14-9-6-4-7-10-14/h4,6-7,9-10,15-18H,2-3,5,8,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyUBDBHGAHCQUJME-JKSUJKDBSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-phenylpentan-1-ol
CID 6992754
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
1,1-diphenyltetradecan-3-ol
CID 102298194
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
methyl 12-hydroxy-2-phenyloctadecanoate
CID 139643446
phenylmethanol;1-phenylpentan-1-ol
CID 160862998
5-methyl-1-phenylhexan-1-ol
CID 10997859
1,1-diphenylheptan-3-ol
CID 132530442
benzoic acid;decan-5-ol
CID 71345643
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-phenylsulfanylundecan-2-ol
CID 65142065

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-phenyldecane-1,5-diol?
The IUPAC name of (1R,5S)-1-phenyldecane-1,5-diol (CID 10879541) is (1R,5S)-1-phenyldecane-1,5-diol.
What is the SMILES notation for (1R,5S)-1-phenyldecane-1,5-diol?
The canonical SMILES for (1R,5S)-1-phenyldecane-1,5-diol is CCCCC[C@H](O)CCC[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,5S)-1-phenyldecane-1,5-diol?
The InChIKey is UBDBHGAHCQUJME-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-5-11-15(17)12-8-13-16(18)14-9-6-4-7-10-14/h4,6-7,9-10,15-18H,2-3,5,8,11-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of (1R,5S)-1-phenyldecane-1,5-diol?
(1R,5S)-1-phenyldecane-1,5-diol has a molecular weight of 250.38 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-phenyldecane-1,5-diol is sourced from PubChem (CID 10879541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).