6-(3-phenylphenoxy)hexan-1-ol

C18H22O2 — CID 15006942

IUPAC6-(3-phenylphenoxy)hexan-1-ol
SMILESOCCCCCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H22O2/c19-13-6-1-2-7-14-20-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,19H,1-2,6-7,13-14H2
InChIKeyCHLPYJGESYOGCM-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.29
Rot. Bonds8

About 6-(3-phenylphenoxy)hexan-1-ol

6-(3-phenylphenoxy)hexan-1-ol (PubChem CID 15006942) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-(3-phenylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(3-phenylphenoxy)hexan-1-ol
PubChem CID15006942
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name6-(3-phenylphenoxy)hexan-1-ol
SMILESOCCCCCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H22O2/c19-13-6-1-2-7-14-20-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,19H,1-2,6-7,13-14H2
InChIKeyCHLPYJGESYOGCM-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
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

7-phenoxyheptan-1-ol
CID 15856264
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
4-(3-octadecoxyphenyl)phenol
CID 91091323
3,5-bis[3-(3-phenylphenoxy)propoxy]benzoic acid
CID 18951535
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenoxy)hexan-1-ol?
The IUPAC name of 6-(3-phenylphenoxy)hexan-1-ol (CID 15006942) is 6-(3-phenylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(3-phenylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(3-phenylphenoxy)hexan-1-ol is OCCCCCCOc1cccc(-c2ccccc2)c1.
What is the InChIKey of 6-(3-phenylphenoxy)hexan-1-ol?
The InChIKey is CHLPYJGESYOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-13-6-1-2-7-14-20-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,19H,1-2,6-7,13-14H2.
What are the key properties of 6-(3-phenylphenoxy)hexan-1-ol?
6-(3-phenylphenoxy)hexan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylphenoxy)hexan-1-ol is sourced from PubChem (CID 15006942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).