1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol

C15H22O — CID 151640191

IUPAC1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1CC=C(C2(O)C=CC=CC2)CC1
InChIInChI=1S/C15H22O/c1-12(2)13-6-8-14(9-7-13)15(16)10-4-3-5-11-15/h3-5,8,10,12-13,16H,6-7,9,11H2,1-2H3
InChIKeyQSIZFYRMZSAYRZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.62
Rot. Bonds2

About 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol

1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 151640191) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol
PubChem CID151640191
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1CC=C(C2(O)C=CC=CC2)CC1
InChIInChI=1S/C15H22O/c1-12(2)13-6-8-14(9-7-13)15(16)10-4-3-5-11-15/h3-5,8,10,12-13,16H,6-7,9,11H2,1-2H3
InChIKeyQSIZFYRMZSAYRZ-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol (CID 151640191) is 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol is CC(C)C1CC=C(C2(O)C=CC=CC2)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is QSIZFYRMZSAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12(2)13-6-8-14(9-7-13)15(16)10-4-3-5-11-15/h3-5,8,10,12-13,16H,6-7,9,11H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol?
1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151640191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).