CID 57452903

C14H13O — CID 57452903

IUPAC—
SMILES[CH2]c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H13O/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,1,11H2
InChIKeyQSJBCUKZRUIMNY-UHFFFAOYSA-N
MW197.26 g/mol
LogP3.45
Rot. Bonds3

About CID 57452903

CID 57452903 (PubChem CID 57452903) has the molecular formula C14H13O and a molecular weight of 197.26 g/mol.

Molecular Properties

Compound NameCID 57452903
PubChem CID57452903
Molecular FormulaC14H13O
Molecular Weight197.26 g/mol
Exact Mass197.10
IUPAC Name—
SMILES[CH2]c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H13O/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,1,11H2
InChIKeyQSJBCUKZRUIMNY-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
CID 57238609
CID 57238609
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
CID 176656392
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
N-benzyl-3-phenylmethoxyaniline
CID 54801332
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
CID 156844165

Frequently Asked Questions

What is the IUPAC name of CID 57452903?
The IUPAC name of CID 57452903 (CID 57452903) is not available.
What is the SMILES notation for CID 57452903?
The canonical SMILES for CID 57452903 is [CH2]c1cccc(OCc2ccccc2)c1.
What is the InChIKey of CID 57452903?
The InChIKey is QSJBCUKZRUIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,1,11H2.
What are the key properties of CID 57452903?
CID 57452903 has a molecular weight of 197.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57452903 is sourced from PubChem (CID 57452903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).