1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol

C14H16O — CID 68553110

IUPAC1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol
SMILESCC1=CCC(c2ccccc2C(C)O)=C1
InChIInChI=1S/C14H16O/c1-10-7-8-12(9-10)14-6-4-3-5-13(14)11(2)15/h3-7,9,11,15H,8H2,1-2H3
InChIKeyOCGDWBPUQQOLTB-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.47
Rot. Bonds2

About 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol

1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol (PubChem CID 68553110) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol
PubChem CID68553110
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol
SMILESCC1=CCC(c2ccccc2C(C)O)=C1
InChIInChI=1S/C14H16O/c1-10-7-8-12(9-10)14-6-4-3-5-13(14)11(2)15/h3-7,9,11,15H,8H2,1-2H3
InChIKeyOCGDWBPUQQOLTB-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol (CID 68553110) is 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol is CC1=CCC(c2ccccc2C(C)O)=C1.
What is the InChIKey of 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol?
The InChIKey is OCGDWBPUQQOLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-7-8-12(9-10)14-6-4-3-5-13(14)11(2)15/h3-7,9,11,15H,8H2,1-2H3.
What are the key properties of 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol?
1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol has a molecular weight of 200.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]ethanol is sourced from PubChem (CID 68553110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).