CID 176987273

C17H15BO — CID 176987273

IUPAC—
SMILES[B]C1=Cc2ccc(OCc3ccccc3)cc2CC1
InChIInChI=1S/C17H15BO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-5,7,9-11H,6,8,12H2
InChIKeyAHMNQUNSPDYVIB-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.72
Rot. Bonds3

About CID 176987273

CID 176987273 (PubChem CID 176987273) has the molecular formula C17H15BO and a molecular weight of 246.12 g/mol.

Molecular Properties

Compound NameCID 176987273
PubChem CID176987273
Molecular FormulaC17H15BO
Molecular Weight246.12 g/mol
Exact Mass246.12
IUPAC Name—
SMILES[B]C1=Cc2ccc(OCc3ccccc3)cc2CC1
InChIInChI=1S/C17H15BO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-5,7,9-11H,6,8,12H2
InChIKeyAHMNQUNSPDYVIB-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.72
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

6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 10778027
1,1-dimethyl-5-phenylmethoxy-2,3-dihydroindol-1-ium
CID 76846919
N-[(7-phenylmethoxy-3,4-dihydronaphthalen-2-yl)methylidene]hydroxylamine
CID 85289014
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078

Frequently Asked Questions

What is the IUPAC name of CID 176987273?
The IUPAC name of CID 176987273 (CID 176987273) is not available.
What is the SMILES notation for CID 176987273?
The canonical SMILES for CID 176987273 is [B]C1=Cc2ccc(OCc3ccccc3)cc2CC1.
What is the InChIKey of CID 176987273?
The InChIKey is AHMNQUNSPDYVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-5,7,9-11H,6,8,12H2.
What are the key properties of CID 176987273?
CID 176987273 has a molecular weight of 246.12 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176987273 is sourced from PubChem (CID 176987273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).