4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene

C25H34O — CID 159970740

IUPAC4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene
SMILESC1CC2C3CCC(C3)C2C1.Cc1ccc(C)cc1.Cc1ccc(O)cc1
InChIInChI=1S/C10H16.C8H10.C7H8O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6/h7-10H,1-6H2;3-6H,1-2H3;2-5,8H,1H3
InChIKeyOENAKGILPWLXHW-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.84
Rot. Bonds

About 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene

4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene (PubChem CID 159970740) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene.

Molecular Properties

Compound Name4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene
PubChem CID159970740
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene
SMILESC1CC2C3CCC(C3)C2C1.Cc1ccc(C)cc1.Cc1ccc(O)cc1
InChIInChI=1S/C10H16.C8H10.C7H8O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6/h7-10H,1-6H2;3-6H,1-2H3;2-5,8H,1H3
InChIKeyOENAKGILPWLXHW-UHFFFAOYSA-N
XLogP6.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylphenol;tricyclo[5.2.2.02,6]undecane
CID 122164942
ethane;phenol;propane;tricyclo[5.2.1.02,6]decane
CID 158010646
ethane;methane;tris(2-methylphenol);bis(tricyclo[5.2.1.02,6]decane)
CID 157439447
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
4-methylphenol
CID 70549076
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[4.4.0.02,8]decane
CID 585864
chromium;bis(4-methylphenol);chloride
CID 172752271
ethane;methane;phenyl cyanate;toluene;bis(tricyclo[5.2.1.02,6]decane)
CID 158122211
ethane;4-(4-methylphenyl)phenol
CID 161379556

Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene?
The IUPAC name of 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene (CID 159970740) is 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene.
What is the SMILES notation for 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene?
The canonical SMILES for 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene is C1CC2C3CCC(C3)C2C1.Cc1ccc(C)cc1.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene?
The InChIKey is OENAKGILPWLXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C8H10.C7H8O/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6/h7-10H,1-6H2;3-6H,1-2H3;2-5,8H,1H3.
What are the key properties of 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene?
4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene has a molecular weight of 350.55 g/mol, XLogP of 6.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene is sourced from PubChem (CID 159970740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).