CID 123516675

C14H13BO2 — CID 123516675

IUPAC—
SMILES[B]c1ccc(OCc2ccccc2)cc1OC
InChIInChI=1S/C14H13BO2/c1-16-14-9-12(7-8-13(14)15)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyRBNINNKLKQCDND-UHFFFAOYSA-N
MW224.07 g/mol
LogP2.07
Rot. Bonds4

About CID 123516675

CID 123516675 (PubChem CID 123516675) has the molecular formula C14H13BO2 and a molecular weight of 224.07 g/mol.

Molecular Properties

Compound NameCID 123516675
PubChem CID123516675
Molecular FormulaC14H13BO2
Molecular Weight224.07 g/mol
Exact Mass224.10
IUPAC Name—
SMILES[B]c1ccc(OCc2ccccc2)cc1OC
InChIInChI=1S/C14H13BO2/c1-16-14-9-12(7-8-13(14)15)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyRBNINNKLKQCDND-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 52.07
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-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of CID 123516675?
The IUPAC name of CID 123516675 (CID 123516675) is not available.
What is the SMILES notation for CID 123516675?
The canonical SMILES for CID 123516675 is [B]c1ccc(OCc2ccccc2)cc1OC.
What is the InChIKey of CID 123516675?
The InChIKey is RBNINNKLKQCDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BO2/c1-16-14-9-12(7-8-13(14)15)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of CID 123516675?
CID 123516675 has a molecular weight of 224.07 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123516675 is sourced from PubChem (CID 123516675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).