4-(2-hydroxyheptan-2-yl)phenol

C13H20O2 — CID 83075318

IUPAC4-(2-hydroxyheptan-2-yl)phenol
SMILESCCCCCC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-10-13(2,15)11-6-8-12(14)9-7-11/h6-9,14-15H,3-5,10H2,1-2H3
InChIKeyKOTMVBPFEOMANQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.18
Rot. Bonds5

About 4-(2-hydroxyheptan-2-yl)phenol

4-(2-hydroxyheptan-2-yl)phenol (PubChem CID 83075318) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(2-hydroxyheptan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-hydroxyheptan-2-yl)phenol
PubChem CID83075318
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(2-hydroxyheptan-2-yl)phenol
SMILESCCCCCC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-3-4-5-10-13(2,15)11-6-8-12(14)9-7-11/h6-9,14-15H,3-5,10H2,1-2H3
InChIKeyKOTMVBPFEOMANQ-UHFFFAOYSA-N
XLogP3.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
2-(4-methylphenyl)octan-2-ol
CID 65144778
4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
CID 142671500
2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
4-(2-phenyloctan-2-yl)phenol
CID 174541966
2-(3,4-difluorophenyl)heptan-2-ol
CID 80557714
acetaldehyde;4-(2-methylheptan-2-yl)phenol
CID 87674929
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
2-(3,4-diethoxyphenyl)heptan-2-ol
CID 80557836
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyheptan-2-yl)phenol?
The IUPAC name of 4-(2-hydroxyheptan-2-yl)phenol (CID 83075318) is 4-(2-hydroxyheptan-2-yl)phenol.
What is the SMILES notation for 4-(2-hydroxyheptan-2-yl)phenol?
The canonical SMILES for 4-(2-hydroxyheptan-2-yl)phenol is CCCCCC(C)(O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxyheptan-2-yl)phenol?
The InChIKey is KOTMVBPFEOMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-10-13(2,15)11-6-8-12(14)9-7-11/h6-9,14-15H,3-5,10H2,1-2H3.
What are the key properties of 4-(2-hydroxyheptan-2-yl)phenol?
4-(2-hydroxyheptan-2-yl)phenol has a molecular weight of 208.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyheptan-2-yl)phenol is sourced from PubChem (CID 83075318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).