6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol

C21H34O2 — CID 67066834

IUPAC6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
SMILESCCCC1CCC(c2ccc(OCCCCCCO)cc2)CC1
InChIInChI=1S/C21H34O2/c1-2-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)23-17-6-4-3-5-16-22/h12-15,18-19,22H,2-11,16-17H2,1H3
InChIKeyVGJMMSMHZFBCKF-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.69
Rot. Bonds10

About 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol

6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol (PubChem CID 67066834) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
PubChem CID67066834
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
SMILESCCCC1CCC(c2ccc(OCCCCCCO)cc2)CC1
InChIInChI=1S/C21H34O2/c1-2-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)23-17-6-4-3-5-16-22/h12-15,18-19,22H,2-11,16-17H2,1H3
InChIKeyVGJMMSMHZFBCKF-UHFFFAOYSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.69
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-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
CID 154928109
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
CID 123271377
1-O-ethyl 4-O-[6-[4-(4-propylcyclohexyl)phenoxy]hexyl] butanedioate
CID 58027851
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol (CID 67066834) is 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol is CCCC1CCC(c2ccc(OCCCCCCO)cc2)CC1.
What is the InChIKey of 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol?
The InChIKey is VGJMMSMHZFBCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-2-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)23-17-6-4-3-5-16-22/h12-15,18-19,22H,2-11,16-17H2,1H3.
What are the key properties of 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol?
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol has a molecular weight of 318.50 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 67066834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).