CID 177482961

C9H10O — CID 177482961

IUPAC—
SMILES[CH2]c1cccc([CH2])c1OC
InChIInChI=1S/C9H10O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H2,3H3
InChIKeyCPSDRGODCOIDNM-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.06
Rot. Bonds1

About CID 177482961

CID 177482961 (PubChem CID 177482961) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol.

Molecular Properties

Compound NameCID 177482961
PubChem CID177482961
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name—
SMILES[CH2]c1cccc([CH2])c1OC
InChIInChI=1S/C9H10O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H2,3H3
InChIKeyCPSDRGODCOIDNM-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66772828
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Frequently Asked Questions

What is the IUPAC name of CID 177482961?
The IUPAC name of CID 177482961 (CID 177482961) is not available.
What is the SMILES notation for CID 177482961?
The canonical SMILES for CID 177482961 is [CH2]c1cccc([CH2])c1OC.
What is the InChIKey of CID 177482961?
The InChIKey is CPSDRGODCOIDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H2,3H3.
What are the key properties of CID 177482961?
CID 177482961 has a molecular weight of 134.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177482961 is sourced from PubChem (CID 177482961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).