1-(2-octylphenoxy)propan-2-ol

C17H28O2 — CID 142740915

IUPAC1-(2-octylphenoxy)propan-2-ol
SMILESCCCCCCCCc1ccccc1OCC(C)O
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-14-15(2)18/h9-10,12-13,15,18H,3-8,11,14H2,1-2H3
InChIKeyVGKOKWDMZMVKKB-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.35
Rot. Bonds10

About 1-(2-octylphenoxy)propan-2-ol

1-(2-octylphenoxy)propan-2-ol (PubChem CID 142740915) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-octylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-octylphenoxy)propan-2-ol
PubChem CID142740915
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(2-octylphenoxy)propan-2-ol
SMILESCCCCCCCCc1ccccc1OCC(C)O
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-14-15(2)18/h9-10,12-13,15,18H,3-8,11,14H2,1-2H3
InChIKeyVGKOKWDMZMVKKB-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.35
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-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064
1-(2-dodecylphenoxy)ethanol
CID 175113805
1-heptyl-2-octadecoxybenzene
CID 139667653
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-butyl-2-nonoxybenzene
CID 118255282
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
2-(2-dodecylphenoxy)acetic acid
CID 572415
1-(2-hexyldecoxy)-2-propylbenzene
CID 70821516
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907

Frequently Asked Questions

What is the IUPAC name of 1-(2-octylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-octylphenoxy)propan-2-ol (CID 142740915) is 1-(2-octylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-octylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-octylphenoxy)propan-2-ol is CCCCCCCCc1ccccc1OCC(C)O.
What is the InChIKey of 1-(2-octylphenoxy)propan-2-ol?
The InChIKey is VGKOKWDMZMVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-14-15(2)18/h9-10,12-13,15,18H,3-8,11,14H2,1-2H3.
What are the key properties of 1-(2-octylphenoxy)propan-2-ol?
1-(2-octylphenoxy)propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octylphenoxy)propan-2-ol is sourced from PubChem (CID 142740915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).