4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol

C12H16O3 — CID 163520567

IUPAC4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(OC2C=CC(O)CC2)C=C1
InChIInChI=1S/C12H16O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-3,5,7,10-14H,4,6,8H2
InChIKeyDKLHDFGFDOVVOZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.85
Rot. Bonds2

About 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol

4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol (PubChem CID 163520567) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol
PubChem CID163520567
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(OC2C=CC(O)CC2)C=C1
InChIInChI=1S/C12H16O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-3,5,7,10-14H,4,6,8H2
InChIKeyDKLHDFGFDOVVOZ-UHFFFAOYSA-N
XLogP1.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol (CID 163520567) is 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol is OC1=CCC(OC2C=CC(O)CC2)C=C1.
What is the InChIKey of 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol?
The InChIKey is DKLHDFGFDOVVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-3,5,7,10-14H,4,6,8H2.
What are the key properties of 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol?
4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohex-2-en-1-yl)oxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 163520567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).