4-propan-2-ylidenecyclohexa-1,5-dien-1-ol

C9H12O — CID 22416452

IUPAC4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
SMILESCC(C)=C1C=CC(O)=CC1
InChIInChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3,5-6,10H,4H2,1-2H3
InChIKeyQEQJNNPZDZGJKR-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds

About 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol

4-propan-2-ylidenecyclohexa-1,5-dien-1-ol (PubChem CID 22416452) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
PubChem CID22416452
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-propan-2-ylidenecyclohexa-1,5-dien-1-ol
SMILESCC(C)=C1C=CC(O)=CC1
InChIInChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3,5-6,10H,4H2,1-2H3
InChIKeyQEQJNNPZDZGJKR-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol (CID 22416452) is 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol is CC(C)=C1C=CC(O)=CC1.
What is the InChIKey of 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is QEQJNNPZDZGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3,5-6,10H,4H2,1-2H3.
What are the key properties of 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol?
4-propan-2-ylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 136.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 22416452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).