(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol

C11H14O2 — CID 70564624

IUPAC(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol
SMILESCC1C=C2C=CC=C2OC1(C)CO
InChIInChI=1S/C11H14O2/c1-8-6-9-4-3-5-10(9)13-11(8,2)7-12/h3-6,8,12H,7H2,1-2H3
InChIKeyKJECIRFDWDJBDS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.78
Rot. Bonds1

About (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol

(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol (PubChem CID 70564624) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol
PubChem CID70564624
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol
SMILESCC1C=C2C=CC=C2OC1(C)CO
InChIInChI=1S/C11H14O2/c1-8-6-9-4-3-5-10(9)13-11(8,2)7-12/h3-6,8,12H,7H2,1-2H3
InChIKeyKJECIRFDWDJBDS-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol?
The IUPAC name of (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol (CID 70564624) is (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol.
What is the SMILES notation for (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol?
The canonical SMILES for (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol is CC1C=C2C=CC=C2OC1(C)CO.
What is the InChIKey of (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol?
The InChIKey is KJECIRFDWDJBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-6-9-4-3-5-10(9)13-11(8,2)7-12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol?
(2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol has a molecular weight of 178.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-3H-cyclopenta[b]pyran-2-yl)methanol is sourced from PubChem (CID 70564624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).