CID 168763543

C12H15O2 — CID 168763543

IUPAC—
SMILES[CH2]c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C12H15O2/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,1-4,9H2
InChIKeyZZTYNAKIVTVWNF-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.77
Rot. Bonds2

About CID 168763543

CID 168763543 (PubChem CID 168763543) has the molecular formula C12H15O2 and a molecular weight of 191.25 g/mol.

Molecular Properties

Compound NameCID 168763543
PubChem CID168763543
Molecular FormulaC12H15O2
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name—
SMILES[CH2]c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C12H15O2/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,1-4,9H2
InChIKeyZZTYNAKIVTVWNF-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxan-2-yloxy)phenol
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4-(oxan-2-yloxy)benzoic acid
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trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
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(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
CID 143834486
CID 143834486
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228
lithium 2-(phenoxy)oxane
CID 22133362
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420

Frequently Asked Questions

What is the IUPAC name of CID 168763543?
The IUPAC name of CID 168763543 (CID 168763543) is not available.
What is the SMILES notation for CID 168763543?
The canonical SMILES for CID 168763543 is [CH2]c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of CID 168763543?
The InChIKey is ZZTYNAKIVTVWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,1-4,9H2.
What are the key properties of CID 168763543?
CID 168763543 has a molecular weight of 191.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168763543 is sourced from PubChem (CID 168763543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).