CID 156648763

C24H25B3O2 — CID 156648763

IUPAC—
SMILES[B]C([B])([B])C1=CC2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)C2CC1
InChIInChI=1S/C24H25B3O2/c1-23(2)19-11-10-17(24(25,26)27)14-18(19)22-20(28)12-16(13-21(22)29-23)9-8-15-6-4-3-5-7-15/h3-7,12-14,18-19,28H,8-11H2,1-2H3
InChIKeyWGHNHAAUOTYISG-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.35
Rot. Bonds4

About CID 156648763

CID 156648763 (PubChem CID 156648763) has the molecular formula C24H25B3O2 and a molecular weight of 377.90 g/mol.

Molecular Properties

Compound NameCID 156648763
PubChem CID156648763
Molecular FormulaC24H25B3O2
Molecular Weight377.90 g/mol
Exact Mass378.21
IUPAC Name—
SMILES[B]C([B])([B])C1=CC2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)C2CC1
InChIInChI=1S/C24H25B3O2/c1-23(2)19-11-10-17(24(25,26)27)14-18(19)22-20(28)12-16(13-21(22)29-23)9-8-15-6-4-3-5-7-15/h3-7,12-14,18-19,28H,8-11H2,1-2H3
InChIKeyWGHNHAAUOTYISG-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6aR,10aR)-6,9-dimethyl-3-(2-phenylethyl)-6-(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol;2-[(1R,6R)-6-(1,1-dideuterioprop-1-en-2-yl)-3-methylcyclohex-2-en-1-yl]-5-(2-phenylethyl)benzene-1,3-diol
CID 167554623
(6aS,10aR)-3-ethyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 163806393
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2,2,3,3,3-pentadeuteriopropyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 102320335
3-heptyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 78411013
(6aS,10aS)-3-hexyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 155318981
(6aR)-3-(5-bromopentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 90382188
(6aR,10aR)-6-methyl-3-propyl-6,9-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 167537854
(6aR,10aR)-6,6,9-trimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 11120702
3-(4-hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 6453619
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
CID 76969399
1-hydroxy-3-(4-hydroxypentyl)-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
CID 21364576
(6aR,10aR)-9-methyl-3-pentyl-6,6-bis(trideuteriomethyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 59370858

Frequently Asked Questions

What is the IUPAC name of CID 156648763?
The IUPAC name of CID 156648763 (CID 156648763) is not available.
What is the SMILES notation for CID 156648763?
The canonical SMILES for CID 156648763 is [B]C([B])([B])C1=CC2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)C2CC1.
What is the InChIKey of CID 156648763?
The InChIKey is WGHNHAAUOTYISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25B3O2/c1-23(2)19-11-10-17(24(25,26)27)14-18(19)22-20(28)12-16(13-21(22)29-23)9-8-15-6-4-3-5-7-15/h3-7,12-14,18-19,28H,8-11H2,1-2H3.
What are the key properties of CID 156648763?
CID 156648763 has a molecular weight of 377.90 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156648763 is sourced from PubChem (CID 156648763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).