4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol

C24H30O2 — CID 122194123

IUPAC4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C24H30O2/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)20-5-4-16-24(17-20)14-2-1-3-15-24/h6-13,20,23,25-26H,1-5,14-17H2
InChIKeyGTPUZYIQIWTBRY-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.37
Rot. Bonds3

About 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol

4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol (PubChem CID 122194123) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol
PubChem CID122194123
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C24H30O2/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)20-5-4-16-24(17-20)14-2-1-3-15-24/h6-13,20,23,25-26H,1-5,14-17H2
InChIKeyGTPUZYIQIWTBRY-UHFFFAOYSA-N
XLogP6.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol (CID 122194123) is 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol is Oc1ccc(C(c2ccc(O)cc2)C2CCCC3(CCCCC3)C2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol?
The InChIKey is GTPUZYIQIWTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)20-5-4-16-24(17-20)14-2-1-3-15-24/h6-13,20,23,25-26H,1-5,14-17H2.
What are the key properties of 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol?
4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol has a molecular weight of 350.50 g/mol, XLogP of 6.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-spiro[5.5]undecan-4-ylmethyl]phenol is sourced from PubChem (CID 122194123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).