2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol

C20H30O — CID 66257446

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
SMILESCCC(C)(C)c1ccc(C(O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C20H30O/c1-4-20(2,3)18-9-7-15(8-10-18)19(21)13-17-12-14-5-6-16(17)11-14/h7-10,14,16-17,19,21H,4-6,11-13H2,1-3H3
InChIKeyAYNLMGZWJWOTOH-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.23
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol (PubChem CID 66257446) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
PubChem CID66257446
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
SMILESCCC(C)(C)c1ccc(C(O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C20H30O/c1-4-20(2,3)18-9-7-15(8-10-18)19(21)13-17-12-14-5-6-16(17)11-14/h7-10,14,16-17,19,21H,4-6,11-13H2,1-3H3
InChIKeyAYNLMGZWJWOTOH-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethanol
CID 79558054
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethoxyphenyl)ethanol
CID 61101402
2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
CID 79559068
1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
CID 66259192
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
CID 79559401
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102842439
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 115836851
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115797029

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol (CID 66257446) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol is CCC(C)(C)c1ccc(C(O)CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
The InChIKey is AYNLMGZWJWOTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-4-20(2,3)18-9-7-15(8-10-18)19(21)13-17-12-14-5-6-16(17)11-14/h7-10,14,16-17,19,21H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol has a molecular weight of 286.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol is sourced from PubChem (CID 66257446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).