4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol

C23H30O2 — CID 134291799

IUPAC4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol
SMILESCCC/C(=C(\c1ccc(O)cc1)C1C=CC(O)=CC1C)C1CCCC1
InChIInChI=1S/C23H30O2/c1-3-6-22(17-7-4-5-8-17)23(18-9-11-19(24)12-10-18)21-14-13-20(25)15-16(21)2/h9-17,21,24-25H,3-8H2,1-2H3/b23-22-
InChIKeyCBNAQWYBQFKYTC-FCQUAONHSA-N
MW338.49 g/mol
LogP6.40
Rot. Bonds5

About 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol

4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol (PubChem CID 134291799) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol
PubChem CID134291799
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol
SMILESCCC/C(=C(\c1ccc(O)cc1)C1C=CC(O)=CC1C)C1CCCC1
InChIInChI=1S/C23H30O2/c1-3-6-22(17-7-4-5-8-17)23(18-9-11-19(24)12-10-18)21-14-13-20(25)15-16(21)2/h9-17,21,24-25H,3-8H2,1-2H3/b23-22-
InChIKeyCBNAQWYBQFKYTC-FCQUAONHSA-N
XLogP6.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol?
The IUPAC name of 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol (CID 134291799) is 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol is CCC/C(=C(\c1ccc(O)cc1)C1C=CC(O)=CC1C)C1CCCC1.
What is the InChIKey of 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol?
The InChIKey is CBNAQWYBQFKYTC-FCQUAONHSA-N. The full InChI is InChI=1S/C23H30O2/c1-3-6-22(17-7-4-5-8-17)23(18-9-11-19(24)12-10-18)21-14-13-20(25)15-16(21)2/h9-17,21,24-25H,3-8H2,1-2H3/b23-22-.
What are the key properties of 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol?
4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol has a molecular weight of 338.49 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol is sourced from PubChem (CID 134291799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).