2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol

C17H24O2 — CID 116660264

IUPAC2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CC2=CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13(2)19-16-10-6-9-15(12-16)17(18)11-14-7-4-3-5-8-14/h6-7,9-10,12-13,17-18H,3-5,8,11H2,1-2H3
InChIKeyQYOYDSJVRIZAQR-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.40
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol

2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 116660264) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID116660264
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(C(O)CC2=CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13(2)19-16-10-6-9-15(12-16)17(18)11-14-7-4-3-5-8-14/h6-7,9-10,12-13,17-18H,3-5,8,11H2,1-2H3
InChIKeyQYOYDSJVRIZAQR-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 65145651
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116661576
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
1-(2-phenylbutyl)cycloheptene
CID 143290808
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
1-(3-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanol
CID 105117357
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol (CID 116660264) is 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(C(O)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is QYOYDSJVRIZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(2)19-16-10-6-9-15(12-16)17(18)11-14-7-4-3-5-8-14/h6-7,9-10,12-13,17-18H,3-5,8,11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol?
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 260.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 116660264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).