CID 57452703

C10H13O — CID 57452703

IUPAC—
SMILES[CH2]c1ccc(OCCC)cc1
InChIInChI=1S/C10H13O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyHASOOQJVJCEPFH-UHFFFAOYSA-N
MW149.21 g/mol
LogP2.66
Rot. Bonds3

About CID 57452703

CID 57452703 (PubChem CID 57452703) has the molecular formula C10H13O and a molecular weight of 149.21 g/mol.

Molecular Properties

Compound NameCID 57452703
PubChem CID57452703
Molecular FormulaC10H13O
Molecular Weight149.21 g/mol
Exact Mass149.10
IUPAC Name—
SMILES[CH2]c1ccc(OCCC)cc1
InChIInChI=1S/C10H13O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyHASOOQJVJCEPFH-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91374788
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CID 18314717
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CID 62227500
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CID 63701544
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CID 21338136
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of CID 57452703?
The IUPAC name of CID 57452703 (CID 57452703) is not available.
What is the SMILES notation for CID 57452703?
The canonical SMILES for CID 57452703 is [CH2]c1ccc(OCCC)cc1.
What is the InChIKey of CID 57452703?
The InChIKey is HASOOQJVJCEPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3.
What are the key properties of CID 57452703?
CID 57452703 has a molecular weight of 149.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57452703 is sourced from PubChem (CID 57452703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).