9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol

C19H18O2 — CID 155931971

IUPAC9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol
SMILESOC1([C@@H]2C=CCCC2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H18O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h2,4-8,10-14,20H,1,3,9H2/t14-/m1/s1
InChIKeyRHQARBUJSGFXMO-CQSZACIVSA-N
MW278.35 g/mol
LogP4.38
Rot. Bonds1

About 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol

9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol (PubChem CID 155931971) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol.

Molecular Properties

Compound Name9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol
PubChem CID155931971
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol
SMILESOC1([C@@H]2C=CCCC2)c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H18O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h2,4-8,10-14,20H,1,3,9H2/t14-/m1/s1
InChIKeyRHQARBUJSGFXMO-CQSZACIVSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol?
The IUPAC name of 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol (CID 155931971) is 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol.
What is the SMILES notation for 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol?
The canonical SMILES for 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol is OC1([C@@H]2C=CCCC2)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol?
The InChIKey is RHQARBUJSGFXMO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18O2/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h2,4-8,10-14,20H,1,3,9H2/t14-/m1/s1.
What are the key properties of 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol?
9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol has a molecular weight of 278.35 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S)-cyclohex-2-en-1-yl]xanthen-9-ol is sourced from PubChem (CID 155931971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).