1-propylcyclohexa-3,5-diene-1,3-diol

C9H14O2 — CID 22594692

IUPAC1-propylcyclohexa-3,5-diene-1,3-diol
SMILESCCCC1(O)C=CC=C(O)C1
InChIInChI=1S/C9H14O2/c1-2-5-9(11)6-3-4-8(10)7-9/h3-4,6,10-11H,2,5,7H2,1H3
InChIKeyHTMHFTHALYTGMQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.92
Rot. Bonds2

About 1-propylcyclohexa-3,5-diene-1,3-diol

1-propylcyclohexa-3,5-diene-1,3-diol (PubChem CID 22594692) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-propylcyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1-propylcyclohexa-3,5-diene-1,3-diol
PubChem CID22594692
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-propylcyclohexa-3,5-diene-1,3-diol
SMILESCCCC1(O)C=CC=C(O)C1
InChIInChI=1S/C9H14O2/c1-2-5-9(11)6-3-4-8(10)7-9/h3-4,6,10-11H,2,5,7H2,1H3
InChIKeyHTMHFTHALYTGMQ-UHFFFAOYSA-N
XLogP1.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylcyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1-propylcyclohexa-3,5-diene-1,3-diol (CID 22594692) is 1-propylcyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1-propylcyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1-propylcyclohexa-3,5-diene-1,3-diol is CCCC1(O)C=CC=C(O)C1.
What is the InChIKey of 1-propylcyclohexa-3,5-diene-1,3-diol?
The InChIKey is HTMHFTHALYTGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-5-9(11)6-3-4-8(10)7-9/h3-4,6,10-11H,2,5,7H2,1H3.
What are the key properties of 1-propylcyclohexa-3,5-diene-1,3-diol?
1-propylcyclohexa-3,5-diene-1,3-diol has a molecular weight of 154.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylcyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 22594692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).