2-(6-hydroxyhexan-2-yloxy)phenol

C12H18O3 — CID 175541429

IUPAC2-(6-hydroxyhexan-2-yloxy)phenol
SMILESCC(CCCCO)Oc1ccccc1O
InChIInChI=1S/C12H18O3/c1-10(6-4-5-9-13)15-12-8-3-2-7-11(12)14/h2-3,7-8,10,13-14H,4-6,9H2,1H3
InChIKeyMJZKKTDJABDGAF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.32
Rot. Bonds6

About 2-(6-hydroxyhexan-2-yloxy)phenol

2-(6-hydroxyhexan-2-yloxy)phenol (PubChem CID 175541429) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(6-hydroxyhexan-2-yloxy)phenol.

Molecular Properties

Compound Name2-(6-hydroxyhexan-2-yloxy)phenol
PubChem CID175541429
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(6-hydroxyhexan-2-yloxy)phenol
SMILESCC(CCCCO)Oc1ccccc1O
InChIInChI=1S/C12H18O3/c1-10(6-4-5-9-13)15-12-8-3-2-7-11(12)14/h2-3,7-8,10,13-14H,4-6,9H2,1H3
InChIKeyMJZKKTDJABDGAF-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(4-methoxyphenoxy)hexan-1-ol
CID 11436040
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol
CID 25139963
1-heptadecan-2-yloxy-2-prop-1-en-2-ylbenzene
CID 142728021
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
2-(1-chloroethoxy)phenol
CID 174313059
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
4-(2-methoxyphenoxy)pentan-1-amine
CID 62460101
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexan-2-yloxy)phenol?
The IUPAC name of 2-(6-hydroxyhexan-2-yloxy)phenol (CID 175541429) is 2-(6-hydroxyhexan-2-yloxy)phenol.
What is the SMILES notation for 2-(6-hydroxyhexan-2-yloxy)phenol?
The canonical SMILES for 2-(6-hydroxyhexan-2-yloxy)phenol is CC(CCCCO)Oc1ccccc1O.
What is the InChIKey of 2-(6-hydroxyhexan-2-yloxy)phenol?
The InChIKey is MJZKKTDJABDGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(6-4-5-9-13)15-12-8-3-2-7-11(12)14/h2-3,7-8,10,13-14H,4-6,9H2,1H3.
What are the key properties of 2-(6-hydroxyhexan-2-yloxy)phenol?
2-(6-hydroxyhexan-2-yloxy)phenol has a molecular weight of 210.27 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexan-2-yloxy)phenol is sourced from PubChem (CID 175541429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).