4-[5-(4-hydroxycyclohexyl)pentyl]phenol

C17H26O2 — CID 15052392

IUPAC4-[5-(4-hydroxycyclohexyl)pentyl]phenol
SMILESOc1ccc(CCCCCC2CCC(O)CC2)cc1
InChIInChI=1S/C17H26O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h6-7,10-11,15,17-19H,1-5,8-9,12-13H2
InChIKeyCDYAZWDLVVPIEN-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.05
Rot. Bonds6

About 4-[5-(4-hydroxycyclohexyl)pentyl]phenol

4-[5-(4-hydroxycyclohexyl)pentyl]phenol (PubChem CID 15052392) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-[5-(4-hydroxycyclohexyl)pentyl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxycyclohexyl)pentyl]phenol
PubChem CID15052392
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-[5-(4-hydroxycyclohexyl)pentyl]phenol
SMILESOc1ccc(CCCCCC2CCC(O)CC2)cc1
InChIInChI=1S/C17H26O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h6-7,10-11,15,17-19H,1-5,8-9,12-13H2
InChIKeyCDYAZWDLVVPIEN-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
5-cyclopropylpentylbenzene
CID 91089836
4-cyclopropylbutylbenzene
CID 10261592
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-(10-cyclohexyldecyl)-4-iodobenzene
CID 129287266
4-(12-hydroxydodecyl)phenol
CID 139809285
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
3-[[4-(4-phenylbutyl)cyclohexyl]amino]phenol
CID 163856195
4-(6-iodohexyl)phenol
CID 23455799
4-(8-sulfanyloctyl)phenol
CID 58675994

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxycyclohexyl)pentyl]phenol?
The IUPAC name of 4-[5-(4-hydroxycyclohexyl)pentyl]phenol (CID 15052392) is 4-[5-(4-hydroxycyclohexyl)pentyl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxycyclohexyl)pentyl]phenol?
The canonical SMILES for 4-[5-(4-hydroxycyclohexyl)pentyl]phenol is Oc1ccc(CCCCCC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[5-(4-hydroxycyclohexyl)pentyl]phenol?
The InChIKey is CDYAZWDLVVPIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h6-7,10-11,15,17-19H,1-5,8-9,12-13H2.
What are the key properties of 4-[5-(4-hydroxycyclohexyl)pentyl]phenol?
4-[5-(4-hydroxycyclohexyl)pentyl]phenol has a molecular weight of 262.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxycyclohexyl)pentyl]phenol is sourced from PubChem (CID 15052392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).