2-benzhydryloxyheptan-1-ol

C20H26O2 — CID 71337534

IUPAC2-benzhydryloxyheptan-1-ol
SMILESCCCCCC(CO)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2/c1-2-3-6-15-19(16-21)22-20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h4-5,7-14,19-21H,2-3,6,15-16H2,1H3
InChIKeyISHNBZCEAITGIS-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.73
Rot. Bonds9

About 2-benzhydryloxyheptan-1-ol

2-benzhydryloxyheptan-1-ol (PubChem CID 71337534) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-benzhydryloxyheptan-1-ol.

Molecular Properties

Compound Name2-benzhydryloxyheptan-1-ol
PubChem CID71337534
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-benzhydryloxyheptan-1-ol
SMILESCCCCCC(CO)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O2/c1-2-3-6-15-19(16-21)22-20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h4-5,7-14,19-21H,2-3,6,15-16H2,1H3
InChIKeyISHNBZCEAITGIS-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxyhexadecan-2-yloxy)hexadecan-1-ol
CID 87617738
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
undecan-6-yloxybenzene
CID 130316504
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
tetracosan-8-yloxybenzene
CID 154135377
1-decan-2-yloxyethylbenzene
CID 102455455
1,1-diphenyldecan-3-yl dihydrogen phosphate
CID 141070435
(1R)-1-phenyloctan-1-ol
CID 12794259
nonan-3-yl 3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide
CID 162337971
3-phenylundecan-1-ol
CID 101150144
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxyheptan-1-ol?
The IUPAC name of 2-benzhydryloxyheptan-1-ol (CID 71337534) is 2-benzhydryloxyheptan-1-ol.
What is the SMILES notation for 2-benzhydryloxyheptan-1-ol?
The canonical SMILES for 2-benzhydryloxyheptan-1-ol is CCCCCC(CO)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryloxyheptan-1-ol?
The InChIKey is ISHNBZCEAITGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-2-3-6-15-19(16-21)22-20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h4-5,7-14,19-21H,2-3,6,15-16H2,1H3.
What are the key properties of 2-benzhydryloxyheptan-1-ol?
2-benzhydryloxyheptan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxyheptan-1-ol is sourced from PubChem (CID 71337534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).