CID 88575410

C10H13BO2 — CID 88575410

IUPAC—
SMILES[B]c1ccc(OC(C)C)cc1OC
InChIInChI=1S/C10H13BO2/c1-7(2)13-8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3
InChIKeyHDNRYQLPANKAJB-UHFFFAOYSA-N
MW176.02 g/mol
LogP1.28
Rot. Bonds3

About CID 88575410

CID 88575410 (PubChem CID 88575410) has the molecular formula C10H13BO2 and a molecular weight of 176.02 g/mol.

Molecular Properties

Compound NameCID 88575410
PubChem CID88575410
Molecular FormulaC10H13BO2
Molecular Weight176.02 g/mol
Exact Mass176.10
IUPAC Name—
SMILES[B]c1ccc(OC(C)C)cc1OC
InChIInChI=1S/C10H13BO2/c1-7(2)13-8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3
InChIKeyHDNRYQLPANKAJB-UHFFFAOYSA-N
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 51.28
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

1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
methane;2-methoxy-1-methyl-4-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene
CID 159264370
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
2-(2-methoxy-4-propan-2-yloxyphenyl)pyrazine
CID 22249015
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
CID 102213388
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
2,5-di(propan-2-yloxy)phenol
CID 57426094
2,5-di(propan-2-yloxy)aniline
CID 18997718

Frequently Asked Questions

What is the IUPAC name of CID 88575410?
The IUPAC name of CID 88575410 (CID 88575410) is not available.
What is the SMILES notation for CID 88575410?
The canonical SMILES for CID 88575410 is [B]c1ccc(OC(C)C)cc1OC.
What is the InChIKey of CID 88575410?
The InChIKey is HDNRYQLPANKAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BO2/c1-7(2)13-8-4-5-9(11)10(6-8)12-3/h4-7H,1-3H3.
What are the key properties of CID 88575410?
CID 88575410 has a molecular weight of 176.02 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88575410 is sourced from PubChem (CID 88575410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).