4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol

C9H14O2 — CID 89149867

IUPAC4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol
SMILESOCCCC1C=CC(O)=CC1
InChIInChI=1S/C9H14O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3,5-6,8,10-11H,1-2,4,7H2
InChIKeyWISSSZDQJBXLBQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.78
Rot. Bonds3

About 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol

4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol (PubChem CID 89149867) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol
PubChem CID89149867
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol
SMILESOCCCC1C=CC(O)=CC1
InChIInChI=1S/C9H14O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3,5-6,8,10-11H,1-2,4,7H2
InChIKeyWISSSZDQJBXLBQ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol (CID 89149867) is 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol is OCCCC1C=CC(O)=CC1.
What is the InChIKey of 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is WISSSZDQJBXLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3,5-6,8,10-11H,1-2,4,7H2.
What are the key properties of 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol?
4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89149867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).