1-phenylmethoxydecan-1-ol

C17H28O2 — CID 152749890

IUPAC1-phenylmethoxydecan-1-ol
SMILESCCCCCCCCCC(O)OCc1ccccc1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,2-7,11,14-15H2,1H3
InChIKeyFGHQJJLWQWPMHR-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.66
Rot. Bonds11

About 1-phenylmethoxydecan-1-ol

1-phenylmethoxydecan-1-ol (PubChem CID 152749890) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-phenylmethoxydecan-1-ol.

Molecular Properties

Compound Name1-phenylmethoxydecan-1-ol
PubChem CID152749890
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-phenylmethoxydecan-1-ol
SMILESCCCCCCCCCC(O)OCc1ccccc1
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,2-7,11,14-15H2,1H3
InChIKeyFGHQJJLWQWPMHR-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
4-phenylmethoxynonadecan-1-ol
CID 15735676
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
1-(2-phenylmethoxyoctadecan-3-yloxy)propan-1-ol
CID 54196752
2-hydroxy-13-phenylmethoxyoctadecanoic acid
CID 101300383
2-hydroxy-12-phenylmethoxyoctadecanoic acid
CID 101300349
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
benzyl 2-hydroxydecanoate
CID 139390218
1-heptoxy-1-phenylmethoxypropan-2-ol
CID 70426834
(2S,3R)-3-phenylmethoxy-2-tetradecyloctadecanoic acid
CID 15977400
(3S,4S)-3-amino-1-phenylmethoxyoctadecan-4-ol
CID 101228641

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxydecan-1-ol?
The IUPAC name of 1-phenylmethoxydecan-1-ol (CID 152749890) is 1-phenylmethoxydecan-1-ol.
What is the SMILES notation for 1-phenylmethoxydecan-1-ol?
The canonical SMILES for 1-phenylmethoxydecan-1-ol is CCCCCCCCCC(O)OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxydecan-1-ol?
The InChIKey is FGHQJJLWQWPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,2-7,11,14-15H2,1H3.
What are the key properties of 1-phenylmethoxydecan-1-ol?
1-phenylmethoxydecan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxydecan-1-ol is sourced from PubChem (CID 152749890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).