2-hexoxy-2-phenylpropan-1-ol

C15H24O2 — CID 10105542

IUPAC2-hexoxy-2-phenylpropan-1-ol
SMILESCCCCCCOC(C)(CO)c1ccccc1
InChIInChI=1S/C15H24O2/c1-3-4-5-9-12-17-15(2,13-16)14-10-7-6-8-11-14/h6-8,10-11,16H,3-5,9,12-13H2,1-2H3
InChIKeySFHAWIYAYVLLSP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.49
Rot. Bonds8

About 2-hexoxy-2-phenylpropan-1-ol

2-hexoxy-2-phenylpropan-1-ol (PubChem CID 10105542) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-hexoxy-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-hexoxy-2-phenylpropan-1-ol
PubChem CID10105542
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-hexoxy-2-phenylpropan-1-ol
SMILESCCCCCCOC(C)(CO)c1ccccc1
InChIInChI=1S/C15H24O2/c1-3-4-5-9-12-17-15(2,13-16)14-10-7-6-8-11-14/h6-8,10-11,16H,3-5,9,12-13H2,1-2H3
InChIKeySFHAWIYAYVLLSP-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.49
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

1-octadecoxy-1-phenylethanol
CID 175437177
pentoxy(diphenyl)methanol;phosphane
CID 175176254
2-ethoxy-2-phenyldecan-1-ol
CID 66778528
1,1,2,2-tetrahexoxyethylbenzene
CID 3939023
bis[(Z)-octadec-9-enoxy]-phenylmethanol
CID 87219212
tert-butylbenzene;hexane
CID 175254424
2-phenylheptan-2-yloxysilane
CID 173162133
[(2R)-2-hydroperoxyhexan-2-yl]benzene
CID 102075199
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
1,1-diphenylethyl hexyl hydrogen phosphate
CID 67462386
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
(2S)-2-methyl-3-octadecoxy-2-phenylmethoxypropan-1-ol
CID 69098016

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-2-phenylpropan-1-ol?
The IUPAC name of 2-hexoxy-2-phenylpropan-1-ol (CID 10105542) is 2-hexoxy-2-phenylpropan-1-ol.
What is the SMILES notation for 2-hexoxy-2-phenylpropan-1-ol?
The canonical SMILES for 2-hexoxy-2-phenylpropan-1-ol is CCCCCCOC(C)(CO)c1ccccc1.
What is the InChIKey of 2-hexoxy-2-phenylpropan-1-ol?
The InChIKey is SFHAWIYAYVLLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-9-12-17-15(2,13-16)14-10-7-6-8-11-14/h6-8,10-11,16H,3-5,9,12-13H2,1-2H3.
What are the key properties of 2-hexoxy-2-phenylpropan-1-ol?
2-hexoxy-2-phenylpropan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-2-phenylpropan-1-ol is sourced from PubChem (CID 10105542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).