CID 174603663

C9H12BO — CID 174603663

IUPAC—
SMILESC[B]c1ccc(OCC)cc1
InChIInChI=1S/C9H12BO/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyQKISAJWWMPEXKN-UHFFFAOYSA-N
MW147.01 g/mol
LogP1.46
Rot. Bonds3

About CID 174603663

CID 174603663 (PubChem CID 174603663) has the molecular formula C9H12BO and a molecular weight of 147.01 g/mol.

Molecular Properties

Compound NameCID 174603663
PubChem CID174603663
Molecular FormulaC9H12BO
Molecular Weight147.01 g/mol
Exact Mass147.10
IUPAC Name—
SMILESC[B]c1ccc(OCC)cc1
InChIInChI=1S/C9H12BO/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyQKISAJWWMPEXKN-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.01
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
ethoxybenzene chloride
CID 21193593
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-ethoxy-4-ethoxybenzene
CID 91392612
4-ethoxy-N,N-dimethylaniline
CID 3624890
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
S-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765

Frequently Asked Questions

What is the IUPAC name of CID 174603663?
The IUPAC name of CID 174603663 (CID 174603663) is not available.
What is the SMILES notation for CID 174603663?
The canonical SMILES for CID 174603663 is C[B]c1ccc(OCC)cc1.
What is the InChIKey of CID 174603663?
The InChIKey is QKISAJWWMPEXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BO/c1-3-11-9-6-4-8(10-2)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of CID 174603663?
CID 174603663 has a molecular weight of 147.01 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174603663 is sourced from PubChem (CID 174603663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).