CID 153354664

C14H14BO2 — CID 153354664

IUPAC—
SMILESCOc1cccc([B]c2cccc(OC)c2)c1
InChIInChI=1S/C14H14BO2/c1-16-13-7-3-5-11(9-13)15-12-6-4-8-14(10-12)17-2/h3-10H,1-2H3
InChIKeyGEINOKDILGWESD-UHFFFAOYSA-N
MW225.08 g/mol
LogP1.36
Rot. Bonds4

About CID 153354664

CID 153354664 (PubChem CID 153354664) has the molecular formula C14H14BO2 and a molecular weight of 225.08 g/mol.

Molecular Properties

Compound NameCID 153354664
PubChem CID153354664
Molecular FormulaC14H14BO2
Molecular Weight225.08 g/mol
Exact Mass225.11
IUPAC Name—
SMILESCOc1cccc([B]c2cccc(OC)c2)c1
InChIInChI=1S/C14H14BO2/c1-16-13-7-3-5-11(9-13)15-12-6-4-8-14(10-12)17-2/h3-10H,1-2H3
InChIKeyGEINOKDILGWESD-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 51.36
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

azane;1,3-dimethoxybenzene
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carbanide;1,3-dimethoxybenzene;rubidium(1+)
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1,3-dimethoxybenzene;1,4-dimethoxybenzene
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CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 10458332
CID 10458332
sodium 3-methoxyphenol
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Frequently Asked Questions

What is the IUPAC name of CID 153354664?
The IUPAC name of CID 153354664 (CID 153354664) is not available.
What is the SMILES notation for CID 153354664?
The canonical SMILES for CID 153354664 is COc1cccc([B]c2cccc(OC)c2)c1.
What is the InChIKey of CID 153354664?
The InChIKey is GEINOKDILGWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BO2/c1-16-13-7-3-5-11(9-13)15-12-6-4-8-14(10-12)17-2/h3-10H,1-2H3.
What are the key properties of CID 153354664?
CID 153354664 has a molecular weight of 225.08 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153354664 is sourced from PubChem (CID 153354664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).