1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol

C9H14O2 — CID 152616977

IUPAC1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol
SMILESOCCCC1(O)C=CC=CC1
InChIInChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h1-3,5,10-11H,4,6-8H2
InChIKeyZASIOPCMMMHMRP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol

1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 152616977) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol
PubChem CID152616977
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol
SMILESOCCCC1(O)C=CC=CC1
InChIInChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h1-3,5,10-11H,4,6-8H2
InChIKeyZASIOPCMMMHMRP-UHFFFAOYSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol (CID 152616977) is 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol is OCCCC1(O)C=CC=CC1.
What is the InChIKey of 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is ZASIOPCMMMHMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h1-3,5,10-11H,4,6-8H2.
What are the key properties of 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol?
1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 152616977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).