1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol

C18H26O — CID 116660093

IUPAC1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
SMILESCC(C)(C)c1ccc(C(O)CC2=CCCCC2)cc1
InChIInChI=1S/C18H26O/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-14-7-5-4-6-8-14/h7,9-12,17,19H,4-6,8,13H2,1-3H3
InChIKeyBHPQHHZFKSUXNW-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.91
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol

1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol (PubChem CID 116660093) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
PubChem CID116660093
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
SMILESCC(C)(C)c1ccc(C(O)CC2=CCCCC2)cc1
InChIInChI=1S/C18H26O/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-14-7-5-4-6-8-14/h7,9-12,17,19H,4-6,8,13H2,1-3H3
InChIKeyBHPQHHZFKSUXNW-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
CID 10900362
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148
(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
CID 116660155
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol (CID 116660093) is 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol is CC(C)(C)c1ccc(C(O)CC2=CCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol?
The InChIKey is BHPQHHZFKSUXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-14-7-5-4-6-8-14/h7,9-12,17,19H,4-6,8,13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol?
1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol has a molecular weight of 258.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol is sourced from PubChem (CID 116660093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).