(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol

C15H20O2 — CID 114245585

IUPAC(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C15H20O2/c1-10(16)12-4-6-14(7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15-16H,2-3,8-9H2,1H3/t10-,11?,13?,15?/m1/s1
InChIKeyFEQZXLHHRSMELV-PCQPQFMKSA-N
MW232.32 g/mol
LogP3.31
Rot. Bonds3

About (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol

(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol (PubChem CID 114245585) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol
PubChem CID114245585
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C15H20O2/c1-10(16)12-4-6-14(7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15-16H,2-3,8-9H2,1H3/t10-,11?,13?,15?/m1/s1
InChIKeyFEQZXLHHRSMELV-PCQPQFMKSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114245427
1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine
CID 114245402
2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid
CID 117094897
2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
CID 150736064
5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
CID 114245371
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] 4-methoxybenzoate
CID 11817452
[1-(2-bicyclo[2.2.1]heptanyloxy)-1-oxopropan-2-yl]-bis(4-methoxyphenyl)sulfanium
CID 158304431
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
[2-(2-bicyclo[2.2.1]heptanyloxy)-2-(4-butan-2-ylphenoxy)ethyl] acetate
CID 89342299
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
CID 117051795

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol (CID 114245585) is (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol is C[C@@H](O)c1ccc(OC2CC3CCC2C3)cc1.
What is the InChIKey of (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol?
The InChIKey is FEQZXLHHRSMELV-PCQPQFMKSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(16)12-4-6-14(7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15-16H,2-3,8-9H2,1H3/t10-,11?,13?,15?/m1/s1.
What are the key properties of (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol?
(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol has a molecular weight of 232.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol is sourced from PubChem (CID 114245585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).