4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol

C17H24O2 — CID 139758862

IUPAC4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(C)(CC2(C)C=C(C)C(O)=CC2)CC=C1O
InChIInChI=1S/C17H24O2/c1-12-9-16(3,7-5-14(12)18)11-17(4)8-6-15(19)13(2)10-17/h5-6,9-10,18-19H,7-8,11H2,1-4H3
InChIKeyIKZUEVWHLMDRAN-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.97
Rot. Bonds2

About 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol

4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 139758862) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID139758862
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(C)(CC2(C)C=C(C)C(O)=CC2)CC=C1O
InChIInChI=1S/C17H24O2/c1-12-9-16(3,7-5-14(12)18)11-17(4)8-6-15(19)13(2)10-17/h5-6,9-10,18-19H,7-8,11H2,1-4H3
InChIKeyIKZUEVWHLMDRAN-UHFFFAOYSA-N
XLogP4.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol (CID 139758862) is 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol is CC1=CC(C)(CC2(C)C=C(C)C(O)=CC2)CC=C1O.
What is the InChIKey of 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is IKZUEVWHLMDRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-9-16(3,7-5-14(12)18)11-17(4)8-6-15(19)13(2)10-17/h5-6,9-10,18-19H,7-8,11H2,1-4H3.
What are the key properties of 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 260.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 139758862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).