[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol

C14H19NO2 — CID 61257581

IUPAC[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol
SMILESCC1CC=CCC1COc1ccc(CO)cn1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-13(11)10-17-14-7-6-12(9-16)8-15-14/h2-3,6-8,11,13,16H,4-5,9-10H2,1H3
InChIKeyDTAGOQGCFVBLMW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.56
Rot. Bonds4

About [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol

[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol (PubChem CID 61257581) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol
PubChem CID61257581
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol
SMILESCC1CC=CCC1COc1ccc(CO)cn1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-13(11)10-17-14-7-6-12(9-16)8-15-14/h2-3,6-8,11,13,16H,4-5,9-10H2,1H3
InChIKeyDTAGOQGCFVBLMW-UHFFFAOYSA-N
XLogP2.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol?
The IUPAC name of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol (CID 61257581) is [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol?
The canonical SMILES for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol is CC1CC=CCC1COc1ccc(CO)cn1.
What is the InChIKey of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol?
The InChIKey is DTAGOQGCFVBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-2-3-5-13(11)10-17-14-7-6-12(9-16)8-15-14/h2-3,6-8,11,13,16H,4-5,9-10H2,1H3.
What are the key properties of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol?
[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol has a molecular weight of 233.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 61257581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).