4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol

C18H28O2 — CID 143726784

IUPAC4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
SMILESCC(C)CCC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C18H28O2/c1-14(2)6-11-17(15-7-9-16(19)10-8-15)18(20)12-4-3-5-13-18/h7-10,14,17,19-20H,3-6,11-13H2,1-2H3
InChIKeyFYRYMATXXZUYSY-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.61
Rot. Bonds5

About 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol

4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol (PubChem CID 143726784) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol.

Molecular Properties

Compound Name4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
PubChem CID143726784
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
SMILESCC(C)CCC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C18H28O2/c1-14(2)6-11-17(15-7-9-16(19)10-8-15)18(20)12-4-3-5-13-18/h7-10,14,17,19-20H,3-6,11-13H2,1-2H3
InChIKeyFYRYMATXXZUYSY-UHFFFAOYSA-N
XLogP4.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68605984
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
CID 159281287
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;2-hydroxypropanoic acid
CID 25268064
4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 67641722
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 159437674
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;ethanesulfonic acid
CID 44517185
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68608550
2,6-dideuterio-4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
CID 25226830
1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol
CID 129084956
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol?
The IUPAC name of 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol (CID 143726784) is 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol.
What is the SMILES notation for 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol?
The canonical SMILES for 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol is CC(C)CCC(c1ccc(O)cc1)C1(O)CCCCC1.
What is the InChIKey of 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol?
The InChIKey is FYRYMATXXZUYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-14(2)6-11-17(15-7-9-16(19)10-8-15)18(20)12-4-3-5-13-18/h7-10,14,17,19-20H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol?
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol is sourced from PubChem (CID 143726784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).