3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol

C17H22O — CID 132554060

IUPAC3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol
SMILESOc1cccc(C2CC3C[C@@H]4CC2C[C@H](C3)C4)c1
InChIInChI=1S/C17H22O/c18-16-3-1-2-14(10-16)17-9-13-5-11-4-12(6-13)8-15(17)7-11/h1-3,10-13,15,17-18H,4-9H2/t11-,12+,13?,15?,17?
InChIKeyMSSTURCOZGDFDF-DYKCDNOASA-N
MW242.36 g/mol
LogP4.32
Rot. Bonds1

About 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol

3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol (PubChem CID 132554060) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol.

Molecular Properties

Compound Name3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol
PubChem CID132554060
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol
SMILESOc1cccc(C2CC3C[C@@H]4CC2C[C@H](C3)C4)c1
InChIInChI=1S/C17H22O/c18-16-3-1-2-14(10-16)17-9-13-5-11-4-12(6-13)8-15(17)7-11/h1-3,10-13,15,17-18H,4-9H2/t11-,12+,13?,15?,17?
InChIKeyMSSTURCOZGDFDF-DYKCDNOASA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10965003
3-[3-(methylamino)cyclobutyl]phenol
CID 105437059
3-cyclohexylphenol
CID 16036
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
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4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol?
The IUPAC name of 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol (CID 132554060) is 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol.
What is the SMILES notation for 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol?
The canonical SMILES for 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol is Oc1cccc(C2CC3C[C@@H]4CC2C[C@H](C3)C4)c1.
What is the InChIKey of 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol?
The InChIKey is MSSTURCOZGDFDF-DYKCDNOASA-N. The full InChI is InChI=1S/C17H22O/c18-16-3-1-2-14(10-16)17-9-13-5-11-4-12(6-13)8-15(17)7-11/h1-3,10-13,15,17-18H,4-9H2/t11-,12+,13?,15?,17?.
What are the key properties of 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol?
3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol has a molecular weight of 242.36 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,8S)-4-tricyclo[4.3.1.13,8]undecanyl]phenol is sourced from PubChem (CID 132554060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).