[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol

C26H36O — CID 118150513

IUPAC[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CO)cc3CC)cc2)CC1
InChIInChI=1S/C26H36O/c1-3-5-6-7-20-8-11-23(12-9-20)24-13-15-25(16-14-24)26-17-10-21(19-27)18-22(26)4-2/h10,13-18,20,23,27H,3-9,11-12,19H2,1-2H3
InChIKeyUSYJUUKMPJFDOB-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.26
Rot. Bonds8

About [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol

[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol (PubChem CID 118150513) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol
PubChem CID118150513
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CO)cc3CC)cc2)CC1
InChIInChI=1S/C26H36O/c1-3-5-6-7-20-8-11-23(12-9-20)24-13-15-25(16-14-24)26-17-10-21(19-27)18-22(26)4-2/h10,13-18,20,23,27H,3-9,11-12,19H2,1-2H3
InChIKeyUSYJUUKMPJFDOB-UHFFFAOYSA-N
XLogP7.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-ethyl-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 162428601
4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 139457537
4-(3,3-dimethoxypropyl)-2-ethyl-1-[4-(4-pentylcyclohexyl)phenyl]benzene;ethane
CID 142281448
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
2-[3-ethyl-4-[4-(4-nonylcyclohexyl)phenyl]phenyl]-N,N-dimethylethanamine;prop-2-enal
CID 142282909
N-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]prop-2-enamide
CID 135214843
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
2-[5-(hydroxymethyl)-2-[2-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193830
3-[4-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-N-methoxysulfanyl-N-methylpropan-1-amine
CID 135218755

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol?
The IUPAC name of [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol (CID 118150513) is [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol.
What is the SMILES notation for [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol?
The canonical SMILES for [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol is CCCCCC1CCC(c2ccc(-c3ccc(CO)cc3CC)cc2)CC1.
What is the InChIKey of [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol?
The InChIKey is USYJUUKMPJFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-3-5-6-7-20-8-11-23(12-9-20)24-13-15-25(16-14-24)26-17-10-21(19-27)18-22(26)4-2/h10,13-18,20,23,27H,3-9,11-12,19H2,1-2H3.
What are the key properties of [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol?
[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol has a molecular weight of 364.57 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol is sourced from PubChem (CID 118150513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).