4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol

C18H17NO4 — CID 135821399

IUPAC4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2c/c(=N\O)c3cc(C)cc(C)c3o2)ccc1O
InChIInChI=1S/C18H17NO4/c1-10-6-11(2)18-13(7-10)14(19-21)9-16(23-18)12-4-5-15(20)17(8-12)22-3/h4-9,20-21H,1-3H3/b19-14+
InChIKeyXAEUUASHVOTEJI-XMHGGMMESA-N
MW311.34 g/mol
LogP3.72
Rot. Bonds2

About 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol

4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol (PubChem CID 135821399) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol
PubChem CID135821399
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2c/c(=N\O)c3cc(C)cc(C)c3o2)ccc1O
InChIInChI=1S/C18H17NO4/c1-10-6-11(2)18-13(7-10)14(19-21)9-16(23-18)12-4-5-15(20)17(8-12)22-3/h4-9,20-21H,1-3H3/b19-14+
InChIKeyXAEUUASHVOTEJI-XMHGGMMESA-N
XLogP3.72
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[[2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethylchromen-4-ylidene]amino]acetyl]amino]acetic acid;perchloric acid
CID 135777406
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135684360
4-[(4E)-6,8-dichloro-4-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]chromen-2-yl]-2-methoxyphenol
CID 135715907
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
CID 28811764
2-(2-hydroxyethyl)-1-(4-hydroxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880534
4-[(4E)-5,7-dimethyl-4-(quinolin-1-ium-2-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135615069
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
4-[(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5,7-dimethylchromen-2-yl]-2-methoxyphenol
CID 135752356
N-[[2-(4-methoxyphenyl)-6,8-dimethylchromen-4-ylidene]amino]-1H-benzimidazol-3-ium-2-amine
CID 135488716

Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol (CID 135821399) is 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol is COc1cc(-c2c/c(=N\O)c3cc(C)cc(C)c3o2)ccc1O.
What is the InChIKey of 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol?
The InChIKey is XAEUUASHVOTEJI-XMHGGMMESA-N. The full InChI is InChI=1S/C18H17NO4/c1-10-6-11(2)18-13(7-10)14(19-21)9-16(23-18)12-4-5-15(20)17(8-12)22-3/h4-9,20-21H,1-3H3/b19-14+.
What are the key properties of 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol?
4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol has a molecular weight of 311.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-hydroxyimino-6,8-dimethylchromen-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135821399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).