CID 58731637

C9H10O — CID 58731637

IUPAC—
SMILES[CH]OCCc1ccccc1
InChIInChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h1-6H,7-8H2
InChIKeyPAGQSRUXJQTQSF-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.91
Rot. Bonds3

About CID 58731637

CID 58731637 (PubChem CID 58731637) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol.

Molecular Properties

Compound NameCID 58731637
PubChem CID58731637
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name—
SMILES[CH]OCCc1ccccc1
InChIInChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h1-6H,7-8H2
InChIKeyPAGQSRUXJQTQSF-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methoxyethylbenzene
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hafnium;2-phenylethylbenzene
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2-phenylethoxymethylidenetungsten
CID 166530687
dimethyl(2-phenylethoxy)phosphane
CID 141159269
2-phosphorosooxyethylbenzene
CID 23393054
CID 11412729
CID 11412729
4-phenylbutylbenzene
CID 141301927
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of CID 58731637?
The IUPAC name of CID 58731637 (CID 58731637) is not available.
What is the SMILES notation for CID 58731637?
The canonical SMILES for CID 58731637 is [CH]OCCc1ccccc1.
What is the InChIKey of CID 58731637?
The InChIKey is PAGQSRUXJQTQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h1-6H,7-8H2.
What are the key properties of CID 58731637?
CID 58731637 has a molecular weight of 134.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58731637 is sourced from PubChem (CID 58731637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).