3-(6-phenylhexoxy)phenol

C18H22O2 — CID 54079626

IUPAC3-(6-phenylhexoxy)phenol
SMILESOc1cccc(OCCCCCCc2ccccc2)c1
InChIInChI=1S/C18H22O2/c19-17-12-8-13-18(15-17)20-14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13,15,19H,1-2,4,7,9,14H2
InChIKeyGOEHVQAILUZZBM-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.57
Rot. Bonds8

About 3-(6-phenylhexoxy)phenol

3-(6-phenylhexoxy)phenol (PubChem CID 54079626) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(6-phenylhexoxy)phenol.

Molecular Properties

Compound Name3-(6-phenylhexoxy)phenol
PubChem CID54079626
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-(6-phenylhexoxy)phenol
SMILESOc1cccc(OCCCCCCc2ccccc2)c1
InChIInChI=1S/C18H22O2/c19-17-12-8-13-18(15-17)20-14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13,15,19H,1-2,4,7,9,14H2
InChIKeyGOEHVQAILUZZBM-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.57
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-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
3-dodecoxyphenol
CID 15719132
3-iodophenol;1-iodo-3-(3-phenylpropoxy)benzene;3-phenylpropan-1-ol
CID 159419091
3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
3,4-bis(4-phenylbutoxy)phenol
CID 146326357
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
[3-(7-phenylheptoxy)phenyl]thiourea
CID 24798539
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylhexoxy)phenol?
The IUPAC name of 3-(6-phenylhexoxy)phenol (CID 54079626) is 3-(6-phenylhexoxy)phenol.
What is the SMILES notation for 3-(6-phenylhexoxy)phenol?
The canonical SMILES for 3-(6-phenylhexoxy)phenol is Oc1cccc(OCCCCCCc2ccccc2)c1.
What is the InChIKey of 3-(6-phenylhexoxy)phenol?
The InChIKey is GOEHVQAILUZZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-17-12-8-13-18(15-17)20-14-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-13,15,19H,1-2,4,7,9,14H2.
What are the key properties of 3-(6-phenylhexoxy)phenol?
3-(6-phenylhexoxy)phenol has a molecular weight of 270.37 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylhexoxy)phenol is sourced from PubChem (CID 54079626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).