4-octan-3-yloxyphenol

C14H22O2 — CID 54268247

IUPAC4-octan-3-yloxyphenol
SMILESCCCCCC(CC)Oc1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-3-5-6-7-13(4-2)16-14-10-8-12(15)9-11-14/h8-11,13,15H,3-7H2,1-2H3
InChIKeyRIHDOUAPWZMWAQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.13
Rot. Bonds7

About 4-octan-3-yloxyphenol

4-octan-3-yloxyphenol (PubChem CID 54268247) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-octan-3-yloxyphenol.

Molecular Properties

Compound Name4-octan-3-yloxyphenol
PubChem CID54268247
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-octan-3-yloxyphenol
SMILESCCCCCC(CC)Oc1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-3-5-6-7-13(4-2)16-14-10-8-12(15)9-11-14/h8-11,13,15H,3-7H2,1-2H3
InChIKeyRIHDOUAPWZMWAQ-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.13
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

4-[4-(1-hydroxyhexoxy)phenyl]phenol
CID 22712995
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
undecan-6-yloxybenzene
CID 130316504
1,2-di(octan-3-yloxy)benzene
CID 168861859
tetracosan-8-yloxybenzene
CID 154135377
4-(1,1,1-triethoxydecan-2-yloxy)phenol
CID 150429547
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
4-[(5S)-dodecan-5-yl]oxybenzoic acid
CID 129396336
4-[4-[1-(4-propylanilino)dodecan-2-yloxy]phenyl]sulfonylphenol
CID 54217598
3-(3,4-dihydroxyphenoxy)nonadecanoic acid
CID 139673022
[(3S)-nonan-3-yl] 4-(4-hydroxyphenyl)benzoate
CID 69223470

Frequently Asked Questions

What is the IUPAC name of 4-octan-3-yloxyphenol?
The IUPAC name of 4-octan-3-yloxyphenol (CID 54268247) is 4-octan-3-yloxyphenol.
What is the SMILES notation for 4-octan-3-yloxyphenol?
The canonical SMILES for 4-octan-3-yloxyphenol is CCCCCC(CC)Oc1ccc(O)cc1.
What is the InChIKey of 4-octan-3-yloxyphenol?
The InChIKey is RIHDOUAPWZMWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-5-6-7-13(4-2)16-14-10-8-12(15)9-11-14/h8-11,13,15H,3-7H2,1-2H3.
What are the key properties of 4-octan-3-yloxyphenol?
4-octan-3-yloxyphenol has a molecular weight of 222.33 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octan-3-yloxyphenol is sourced from PubChem (CID 54268247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).