2-(6-phenylhexoxymethyl)phenol

C19H24O2 — CID 67178479

IUPAC2-(6-phenylhexoxymethyl)phenol
SMILESOc1ccccc1COCCCCCCc1ccccc1
InChIInChI=1S/C19H24O2/c20-19-14-8-7-13-18(19)16-21-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14,20H,1-2,4,9-10,15-16H2
InChIKeyBNJFYQGRBIPNEB-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.71
Rot. Bonds9

About 2-(6-phenylhexoxymethyl)phenol

2-(6-phenylhexoxymethyl)phenol (PubChem CID 67178479) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(6-phenylhexoxymethyl)phenol.

Molecular Properties

Compound Name2-(6-phenylhexoxymethyl)phenol
PubChem CID67178479
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(6-phenylhexoxymethyl)phenol
SMILESOc1ccccc1COCCCCCCc1ccccc1
InChIInChI=1S/C19H24O2/c20-19-14-8-7-13-18(19)16-21-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14,20H,1-2,4,9-10,15-16H2
InChIKeyBNJFYQGRBIPNEB-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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

2-(12-phenyldodecyl)phenol
CID 70505621
8-(8-phenyloctoxy)octylbenzene
CID 56628536
2,3-bis(2-phenylethoxymethyl)phenol;2,3-bis(3-phenylpropoxymethyl)phenol
CID 122553241
4-(4-phenylbutoxymethyl)aniline
CID 114332885
6-ethoxyhexylbenzene
CID 54300935
10-butoxydecylbenzene
CID 151496754
4-(8-bromooctoxy)butylbenzene
CID 67807190
5-pentoxypentylbenzene
CID 19046566
14-propoxytetradecylbenzene
CID 126562833
4-octadecoxybutylbenzene
CID 70977182
6-propoxyhexylbenzene
CID 54255597
2-(hydroxymethyl)-2-(13-phenyltridecoxymethyl)propane-1,3-diol
CID 175512316

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylhexoxymethyl)phenol?
The IUPAC name of 2-(6-phenylhexoxymethyl)phenol (CID 67178479) is 2-(6-phenylhexoxymethyl)phenol.
What is the SMILES notation for 2-(6-phenylhexoxymethyl)phenol?
The canonical SMILES for 2-(6-phenylhexoxymethyl)phenol is Oc1ccccc1COCCCCCCc1ccccc1.
What is the InChIKey of 2-(6-phenylhexoxymethyl)phenol?
The InChIKey is BNJFYQGRBIPNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-19-14-8-7-13-18(19)16-21-15-9-2-1-4-10-17-11-5-3-6-12-17/h3,5-8,11-14,20H,1-2,4,9-10,15-16H2.
What are the key properties of 2-(6-phenylhexoxymethyl)phenol?
2-(6-phenylhexoxymethyl)phenol has a molecular weight of 284.40 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylhexoxymethyl)phenol is sourced from PubChem (CID 67178479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).