4-cyclopentyl-3-(3,5-dimethylphenyl)phenol

C19H22O — CID 67187515

IUPAC4-cyclopentyl-3-(3,5-dimethylphenyl)phenol
SMILESCc1cc(C)cc(-c2cc(O)ccc2C2CCCC2)c1
InChIInChI=1S/C19H22O/c1-13-9-14(2)11-16(10-13)19-12-17(20)7-8-18(19)15-5-3-4-6-15/h7-12,15,20H,3-6H2,1-2H3
InChIKeyQJOSUSGZQXPWHB-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.33
Rot. Bonds2

About 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol

4-cyclopentyl-3-(3,5-dimethylphenyl)phenol (PubChem CID 67187515) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol.

Molecular Properties

Compound Name4-cyclopentyl-3-(3,5-dimethylphenyl)phenol
PubChem CID67187515
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name4-cyclopentyl-3-(3,5-dimethylphenyl)phenol
SMILESCc1cc(C)cc(-c2cc(O)ccc2C2CCCC2)c1
InChIInChI=1S/C19H22O/c1-13-9-14(2)11-16(10-13)19-12-17(20)7-8-18(19)15-5-3-4-6-15/h7-12,15,20H,3-6H2,1-2H3
InChIKeyQJOSUSGZQXPWHB-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol?
The IUPAC name of 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol (CID 67187515) is 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol.
What is the SMILES notation for 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol?
The canonical SMILES for 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol is Cc1cc(C)cc(-c2cc(O)ccc2C2CCCC2)c1.
What is the InChIKey of 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol?
The InChIKey is QJOSUSGZQXPWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-9-14(2)11-16(10-13)19-12-17(20)7-8-18(19)15-5-3-4-6-15/h7-12,15,20H,3-6H2,1-2H3.
What are the key properties of 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol?
4-cyclopentyl-3-(3,5-dimethylphenyl)phenol has a molecular weight of 266.38 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(3,5-dimethylphenyl)phenol is sourced from PubChem (CID 67187515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).