1-phenyldecane-1,10-diol

C16H26O2 — CID 15255187

IUPAC1-phenyldecane-1,10-diol
SMILESOCCCCCCCCCC(O)c1ccccc1
InChIInChI=1S/C16H26O2/c17-14-10-5-3-1-2-4-9-13-16(18)15-11-7-6-8-12-15/h6-8,11-12,16-18H,1-5,9-10,13-14H2
InChIKeyCODJGGZRXPCMSE-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.83
Rot. Bonds10

About 1-phenyldecane-1,10-diol

1-phenyldecane-1,10-diol (PubChem CID 15255187) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-phenyldecane-1,10-diol.

Molecular Properties

Compound Name1-phenyldecane-1,10-diol
PubChem CID15255187
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-phenyldecane-1,10-diol
SMILESOCCCCCCCCCC(O)c1ccccc1
InChIInChI=1S/C16H26O2/c17-14-10-5-3-1-2-4-9-13-16(18)15-11-7-6-8-12-15/h6-8,11-12,16-18H,1-5,9-10,13-14H2
InChIKeyCODJGGZRXPCMSE-UHFFFAOYSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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

1-phenylpropane-1,3-diol
CID 572059
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
6-chloro-1-phenylhexan-1-ol
CID 10398289
(1R)-1-phenyloctan-1-ol
CID 12794259
5-bromo-1-phenylpentan-1-ol
CID 121216668
5-chloro-1-phenylpentan-1-ol
CID 14449235
6-[5-(4-hydroxybutyl)-1H-pyrrol-3-yl]-1-phenylhexan-1-ol
CID 57040685
(1S)-1-phenylpentan-1-ol
CID 6992754
1,4,4-triphenylbutan-1-ol
CID 141326006
5-phenylpentane-1,2,5-triol
CID 82849671
[(3R)-3-hydroxy-3-phenylpropyl]boronic acid
CID 55255593
5-methyl-1-phenylhexan-1-ol
CID 10997859

Frequently Asked Questions

What is the IUPAC name of 1-phenyldecane-1,10-diol?
The IUPAC name of 1-phenyldecane-1,10-diol (CID 15255187) is 1-phenyldecane-1,10-diol.
What is the SMILES notation for 1-phenyldecane-1,10-diol?
The canonical SMILES for 1-phenyldecane-1,10-diol is OCCCCCCCCCC(O)c1ccccc1.
What is the InChIKey of 1-phenyldecane-1,10-diol?
The InChIKey is CODJGGZRXPCMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c17-14-10-5-3-1-2-4-9-13-16(18)15-11-7-6-8-12-15/h6-8,11-12,16-18H,1-5,9-10,13-14H2.
What are the key properties of 1-phenyldecane-1,10-diol?
1-phenyldecane-1,10-diol has a molecular weight of 250.38 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldecane-1,10-diol is sourced from PubChem (CID 15255187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).