(2-octoxyphenyl)methanol

C15H24O2 — CID 43128604

IUPAC(2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1ccccc1CO
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-9-12-17-15-11-8-7-10-14(15)13-16/h7-8,10-11,16H,2-6,9,12-13H2,1H3
InChIKeyJUVHZEQFETXTIN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.92
Rot. Bonds9

About (2-octoxyphenyl)methanol

(2-octoxyphenyl)methanol (PubChem CID 43128604) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2-octoxyphenyl)methanol.

Molecular Properties

Compound Name(2-octoxyphenyl)methanol
PubChem CID43128604
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1ccccc1CO
InChIInChI=1S/C15H24O2/c1-2-3-4-5-6-9-12-17-15-11-8-7-10-14(15)13-16/h7-8,10-11,16H,2-6,9,12-13H2,1H3
InChIKeyJUVHZEQFETXTIN-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.92
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

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CID 22723794
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1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
2-(2-dodecylphenoxy)ethanol
CID 14475097
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
2-tridecoxyphenol
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Frequently Asked Questions

What is the IUPAC name of (2-octoxyphenyl)methanol?
The IUPAC name of (2-octoxyphenyl)methanol (CID 43128604) is (2-octoxyphenyl)methanol.
What is the SMILES notation for (2-octoxyphenyl)methanol?
The canonical SMILES for (2-octoxyphenyl)methanol is CCCCCCCCOc1ccccc1CO.
What is the InChIKey of (2-octoxyphenyl)methanol?
The InChIKey is JUVHZEQFETXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-3-4-5-6-9-12-17-15-11-8-7-10-14(15)13-16/h7-8,10-11,16H,2-6,9,12-13H2,1H3.
What are the key properties of (2-octoxyphenyl)methanol?
(2-octoxyphenyl)methanol has a molecular weight of 236.35 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octoxyphenyl)methanol is sourced from PubChem (CID 43128604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).