10-phenylnonadecane-1,10-diol

C25H44O2 — CID 159665017

IUPAC10-phenylnonadecane-1,10-diol
SMILESCCCCCCCCCC(O)(CCCCCCCCCO)c1ccccc1
InChIInChI=1S/C25H44O2/c1-2-3-4-5-7-10-16-21-25(27,24-19-14-13-15-20-24)22-17-11-8-6-9-12-18-23-26/h13-15,19-20,26-27H,2-12,16-18,21-23H2,1H3
InChIKeyLJWNATOWTNGIQJ-UHFFFAOYSA-N
MW376.63 g/mol
LogP7.13
Rot. Bonds18

About 10-phenylnonadecane-1,10-diol

10-phenylnonadecane-1,10-diol (PubChem CID 159665017) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 10-phenylnonadecane-1,10-diol.

Molecular Properties

Compound Name10-phenylnonadecane-1,10-diol
PubChem CID159665017
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name10-phenylnonadecane-1,10-diol
SMILESCCCCCCCCCC(O)(CCCCCCCCCO)c1ccccc1
InChIInChI=1S/C25H44O2/c1-2-3-4-5-7-10-16-21-25(27,24-19-14-13-15-20-24)22-17-11-8-6-9-12-18-23-26/h13-15,19-20,26-27H,2-12,16-18,21-23H2,1H3
InChIKeyLJWNATOWTNGIQJ-UHFFFAOYSA-N
XLogP7.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.13
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

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6-phenylheptane-1,6-diol
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1-methoxy-2-phenylheptan-2-ol
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13,13,13-triphenyltridecan-1-ol
CID 150406449
3-hydroxy-3-phenylheptanamide
CID 11253019
benzoic acid;hexan-1-ol
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benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;tridecan-1-ol
CID 67710151
2-nonyl-2-phenylpropanedioic acid
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Frequently Asked Questions

What is the IUPAC name of 10-phenylnonadecane-1,10-diol?
The IUPAC name of 10-phenylnonadecane-1,10-diol (CID 159665017) is 10-phenylnonadecane-1,10-diol.
What is the SMILES notation for 10-phenylnonadecane-1,10-diol?
The canonical SMILES for 10-phenylnonadecane-1,10-diol is CCCCCCCCCC(O)(CCCCCCCCCO)c1ccccc1.
What is the InChIKey of 10-phenylnonadecane-1,10-diol?
The InChIKey is LJWNATOWTNGIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2/c1-2-3-4-5-7-10-16-21-25(27,24-19-14-13-15-20-24)22-17-11-8-6-9-12-18-23-26/h13-15,19-20,26-27H,2-12,16-18,21-23H2,1H3.
What are the key properties of 10-phenylnonadecane-1,10-diol?
10-phenylnonadecane-1,10-diol has a molecular weight of 376.63 g/mol, XLogP of 7.13, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylnonadecane-1,10-diol is sourced from PubChem (CID 159665017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).