2-(7-phenoxyheptyl)phenol

C19H24O2 — CID 141346388

IUPAC2-(7-phenoxyheptyl)phenol
SMILESOc1ccccc1CCCCCCCOc1ccccc1
InChIInChI=1S/C19H24O2/c20-19-15-9-8-12-17(19)11-5-2-1-3-10-16-21-18-13-6-4-7-14-18/h4,6-9,12-15,20H,1-3,5,10-11,16H2
InChIKeyBFNLVPBWUYHAHO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.96
Rot. Bonds9

About 2-(7-phenoxyheptyl)phenol

2-(7-phenoxyheptyl)phenol (PubChem CID 141346388) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(7-phenoxyheptyl)phenol.

Molecular Properties

Compound Name2-(7-phenoxyheptyl)phenol
PubChem CID141346388
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(7-phenoxyheptyl)phenol
SMILESOc1ccccc1CCCCCCCOc1ccccc1
InChIInChI=1S/C19H24O2/c20-19-15-9-8-12-17(19)11-5-2-1-3-10-16-21-18-13-6-4-7-14-18/h4,6-9,12-15,20H,1-3,5,10-11,16H2
InChIKeyBFNLVPBWUYHAHO-UHFFFAOYSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.96
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

1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-(12-phenyldodecyl)phenol
CID 70505621
2-(9,9-diphenoxynonyl)phenol
CID 66866947
7-phenoxyheptan-1-ol
CID 15856264
2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol
CID 71616730
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
2-dodecylphenol
CID 160834917
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenoxyheptyl)phenol?
The IUPAC name of 2-(7-phenoxyheptyl)phenol (CID 141346388) is 2-(7-phenoxyheptyl)phenol.
What is the SMILES notation for 2-(7-phenoxyheptyl)phenol?
The canonical SMILES for 2-(7-phenoxyheptyl)phenol is Oc1ccccc1CCCCCCCOc1ccccc1.
What is the InChIKey of 2-(7-phenoxyheptyl)phenol?
The InChIKey is BFNLVPBWUYHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-19-15-9-8-12-17(19)11-5-2-1-3-10-16-21-18-13-6-4-7-14-18/h4,6-9,12-15,20H,1-3,5,10-11,16H2.
What are the key properties of 2-(7-phenoxyheptyl)phenol?
2-(7-phenoxyheptyl)phenol has a molecular weight of 284.40 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenoxyheptyl)phenol is sourced from PubChem (CID 141346388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).