CID 89047150

C11H13BO2 — CID 89047150

IUPAC—
SMILES[B]c1c(OC(C)C)cccc1C(C)=O
InChIInChI=1S/C11H13BO2/c1-7(2)14-10-6-4-5-9(8(3)13)11(10)12/h4-7H,1-3H3
InChIKeyPWYVUTOPEXRHKO-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.47
Rot. Bonds3

About CID 89047150

CID 89047150 (PubChem CID 89047150) has the molecular formula C11H13BO2 and a molecular weight of 188.03 g/mol.

Molecular Properties

Compound NameCID 89047150
PubChem CID89047150
Molecular FormulaC11H13BO2
Molecular Weight188.03 g/mol
Exact Mass188.10
IUPAC Name—
SMILES[B]c1c(OC(C)C)cccc1C(C)=O
InChIInChI=1S/C11H13BO2/c1-7(2)14-10-6-4-5-9(8(3)13)11(10)12/h4-7H,1-3H3
InChIKeyPWYVUTOPEXRHKO-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
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3-(2-acetylphenoxy)butan-2-one
CID 82312052
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
2-bromo-1-(2-propan-2-yloxyphenyl)ethanone;1-(2-hydroxyphenyl)ethanone;1-(2-propan-2-yloxyphenyl)ethanone
CID 157160076
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569

Frequently Asked Questions

What is the IUPAC name of CID 89047150?
The IUPAC name of CID 89047150 (CID 89047150) is not available.
What is the SMILES notation for CID 89047150?
The canonical SMILES for CID 89047150 is [B]c1c(OC(C)C)cccc1C(C)=O.
What is the InChIKey of CID 89047150?
The InChIKey is PWYVUTOPEXRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BO2/c1-7(2)14-10-6-4-5-9(8(3)13)11(10)12/h4-7H,1-3H3.
What are the key properties of CID 89047150?
CID 89047150 has a molecular weight of 188.03 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89047150 is sourced from PubChem (CID 89047150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).