3-(3-methyloctan-2-yloxy)phenol

C15H24O2 — CID 70609437

IUPAC3-(3-methyloctan-2-yloxy)phenol
SMILESCCCCCC(C)C(C)Oc1cccc(O)c1
InChIInChI=1S/C15H24O2/c1-4-5-6-8-12(2)13(3)17-15-10-7-9-14(16)11-15/h7,9-13,16H,4-6,8H2,1-3H3
InChIKeyFHCVDTJDZBTYFB-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.38
Rot. Bonds7

About 3-(3-methyloctan-2-yloxy)phenol

3-(3-methyloctan-2-yloxy)phenol (PubChem CID 70609437) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-(3-methyloctan-2-yloxy)phenol.

Molecular Properties

Compound Name3-(3-methyloctan-2-yloxy)phenol
PubChem CID70609437
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-(3-methyloctan-2-yloxy)phenol
SMILESCCCCCC(C)C(C)Oc1cccc(O)c1
InChIInChI=1S/C15H24O2/c1-4-5-6-8-12(2)13(3)17-15-10-7-9-14(16)11-15/h7,9-13,16H,4-6,8H2,1-3H3
InChIKeyFHCVDTJDZBTYFB-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.38
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

3-decan-4-yloxyphenol
CID 57284040
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
butyl 2-(3-hydroxyphenoxy)propanoate
CID 154641842
3-(1-fluorobutoxy)phenol
CID 174949464
3-dodecoxyphenol
CID 15719132
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
benzene-1,3-diol;bis(2-heptylpropanedioic acid)
CID 70630112
3-pentadecan-2-ylphenol
CID 57199867
3-methylhexan-2-yloxybenzene
CID 150585965
3-octylperoxyphenol
CID 174622967
(3-hydroxyphenyl) pentanoate
CID 68903948
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyloctan-2-yloxy)phenol?
The IUPAC name of 3-(3-methyloctan-2-yloxy)phenol (CID 70609437) is 3-(3-methyloctan-2-yloxy)phenol.
What is the SMILES notation for 3-(3-methyloctan-2-yloxy)phenol?
The canonical SMILES for 3-(3-methyloctan-2-yloxy)phenol is CCCCCC(C)C(C)Oc1cccc(O)c1.
What is the InChIKey of 3-(3-methyloctan-2-yloxy)phenol?
The InChIKey is FHCVDTJDZBTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-6-8-12(2)13(3)17-15-10-7-9-14(16)11-15/h7,9-13,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(3-methyloctan-2-yloxy)phenol?
3-(3-methyloctan-2-yloxy)phenol has a molecular weight of 236.35 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyloctan-2-yloxy)phenol is sourced from PubChem (CID 70609437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).