CID 88988357

C15H21BO3 — CID 88988357

IUPAC—
SMILES[B]c1cccc(OCCCCOCC2(C)COC2)c1
InChIInChI=1S/C15H21BO3/c1-15(11-18-12-15)10-17-7-2-3-8-19-14-6-4-5-13(16)9-14/h4-6,9H,2-3,7-8,10-12H2,1H3
InChIKeyFXQLZEYHIBKYKE-UHFFFAOYSA-N
MW260.14 g/mol
LogP1.69
Rot. Bonds8

About CID 88988357

CID 88988357 (PubChem CID 88988357) has the molecular formula C15H21BO3 and a molecular weight of 260.14 g/mol.

Molecular Properties

Compound NameCID 88988357
PubChem CID88988357
Molecular FormulaC15H21BO3
Molecular Weight260.14 g/mol
Exact Mass260.16
IUPAC Name—
SMILES[B]c1cccc(OCCCCOCC2(C)COC2)c1
InChIInChI=1S/C15H21BO3/c1-15(11-18-12-15)10-17-7-2-3-8-19-14-6-4-5-13(16)9-14/h4-6,9H,2-3,7-8,10-12H2,1H3
InChIKeyFXQLZEYHIBKYKE-UHFFFAOYSA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 88988357 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-tetramethyl-2-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-1,3,2-dioxaborolane
CID 58151419
3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline
CID 59196910
3-[4-(3-bromophenoxy)butoxymethyl]-3-methyloxetane;4,4,5,5-tetramethyl-2-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161013250
(4-butoxyphenyl)-[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]diazene
CID 101120379
N-[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-phenylaniline
CID 163472933
N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]acetamide
CID 86202865
N-methyl-3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[3-[4-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]aniline;3-[6-[3-(N-[4-(4-methylphenyl)phenyl]anilino)phenoxy]hexoxy]-N,N-diphenylaniline
CID 159401366
3-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
[2,5-bis[[4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoyl]oxy]-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate
CID 58690064
3-methyl-3-[6-[4-[5-[5-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexyl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]hexoxymethyl]oxetane
CID 101378720
2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 157109512
[4-(trifluoromethoxy)phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
CID 59767559

Frequently Asked Questions

What is the IUPAC name of CID 88988357?
The IUPAC name of CID 88988357 (CID 88988357) is not available.
What is the SMILES notation for CID 88988357?
The canonical SMILES for CID 88988357 is [B]c1cccc(OCCCCOCC2(C)COC2)c1.
What is the InChIKey of CID 88988357?
The InChIKey is FXQLZEYHIBKYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BO3/c1-15(11-18-12-15)10-17-7-2-3-8-19-14-6-4-5-13(16)9-14/h4-6,9H,2-3,7-8,10-12H2,1H3.
What are the key properties of CID 88988357?
CID 88988357 has a molecular weight of 260.14 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88988357 is sourced from PubChem (CID 88988357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).