1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine

C26H27N3O3 — CID 142724919

IUPAC1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine
SMILESCOc1cc(N/C(=N\c2ccccc2)Nc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1
InChIInChI=1S/C26H27N3O3/c1-26(2)13-12-18-14-20(10-11-24(18)32-26)28-25(27-19-8-6-5-7-9-19)29-21-15-22(30-3)17-23(16-21)31-4/h5-17H,1-4H3,(H2,27,28,29)
InChIKeyZXDNTEXYAAVNHY-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.10
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine

1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine (PubChem CID 142724919) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine
PubChem CID142724919
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine
SMILESCOc1cc(N/C(=N\c2ccccc2)Nc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1
InChIInChI=1S/C26H27N3O3/c1-26(2)13-12-18-14-20(10-11-24(18)32-26)28-25(27-19-8-6-5-7-9-19)29-21-15-22(30-3)17-23(16-21)31-4/h5-17H,1-4H3,(H2,27,28,29)
InChIKeyZXDNTEXYAAVNHY-UHFFFAOYSA-N
XLogP6.10
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199582
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate
CID 142698891
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727333
(2,2-dimethylchromen-6-yl) 3,4-dimethoxybenzoate
CID 89257218
methyl N-cyano-N'-(2,2-dimethylchromen-6-yl)carbamimidothioate
CID 169364149
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
6-(1-anilinoethyl)-2,2-dimethylchromen-7-ol
CID 86576983
7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
CID 14805899
2,2-dimethyl-N'-(2-methylphenyl)chromene-6-carbohydrazide
CID 171487218

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine (CID 142724919) is 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine is COc1cc(N/C(=N\c2ccccc2)Nc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine?
The InChIKey is ZXDNTEXYAAVNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-26(2)13-12-18-14-20(10-11-24(18)32-26)28-25(27-19-8-6-5-7-9-19)29-21-15-22(30-3)17-23(16-21)31-4/h5-17H,1-4H3,(H2,27,28,29).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine?
1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine has a molecular weight of 429.52 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine is sourced from PubChem (CID 142724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).