CID 101108904

C7H9O — CID 101108904

IUPAC—
SMILESCC1=CC=C[CH]C1O
InChIInChI=1S/C7H9O/c1-6-4-2-3-5-7(6)8/h2-5,7-8H,1H3
InChIKeyOWTOGVOCVIDVJV-UHFFFAOYSA-N
MW109.15 g/mol
LogP1.07
Rot. Bonds

About CID 101108904

CID 101108904 (PubChem CID 101108904) has the molecular formula C7H9O and a molecular weight of 109.15 g/mol.

Molecular Properties

Compound NameCID 101108904
PubChem CID101108904
Molecular FormulaC7H9O
Molecular Weight109.15 g/mol
Exact Mass109.07
IUPAC Name—
SMILESCC1=CC=C[CH]C1O
InChIInChI=1S/C7H9O/c1-6-4-2-3-5-7(6)8/h2-5,7-8H,1H3
InChIKeyOWTOGVOCVIDVJV-UHFFFAOYSA-N
XLogP1.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 101108904?
The IUPAC name of CID 101108904 (CID 101108904) is not available.
What is the SMILES notation for CID 101108904?
The canonical SMILES for CID 101108904 is CC1=CC=C[CH]C1O.
What is the InChIKey of CID 101108904?
The InChIKey is OWTOGVOCVIDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O/c1-6-4-2-3-5-7(6)8/h2-5,7-8H,1H3.
What are the key properties of CID 101108904?
CID 101108904 has a molecular weight of 109.15 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101108904 is sourced from PubChem (CID 101108904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).