1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium

C13H21ClO5P+ — CID 18938168

IUPAC1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium
SMILESCCO[P+](=O)OCC.COCc1ccc(Cl)c(OC)c1
InChIInChI=1S/C9H11ClO2.C4H10O3P/c1-11-6-7-3-4-8(10)9(5-7)12-2;1-3-6-8(5)7-4-2/h3-5H,6H2,1-2H3;3-4H2,1-2H3/q;+1
InChIKeyQHZMWUMTPMBCNN-UHFFFAOYSA-N
MW323.73 g/mol
LogP4.21
Rot. Bonds7

About 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium

1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium (PubChem CID 18938168) has the molecular formula C13H21ClO5P+ and a molecular weight of 323.73 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium
PubChem CID18938168
Molecular FormulaC13H21ClO5P+
Molecular Weight323.73 g/mol
Exact Mass323.08
IUPAC Name1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium
SMILESCCO[P+](=O)OCC.COCc1ccc(Cl)c(OC)c1
InChIInChI=1S/C9H11ClO2.C4H10O3P/c1-11-6-7-3-4-8(10)9(5-7)12-2;1-3-6-8(5)7-4-2/h3-5H,6H2,1-2H3;3-4H2,1-2H3/q;+1
InChIKeyQHZMWUMTPMBCNN-UHFFFAOYSA-N
XLogP4.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
CID 134244114
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
2-chloro-5-(methoxymethyl)aniline
CID 43349916
[3-chloro-5-(methoxymethyl)phenyl] 2,2-dimethylpropanoate;diethoxy(oxo)phosphanium
CID 18320550
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
(4-bromophenyl)methoxy-ethoxy-oxophosphanium
CID 69294075
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
CID 167799715
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium?
The IUPAC name of 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium (CID 18938168) is 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium.
What is the SMILES notation for 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium?
The canonical SMILES for 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium is CCO[P+](=O)OCC.COCc1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium?
The InChIKey is QHZMWUMTPMBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2.C4H10O3P/c1-11-6-7-3-4-8(10)9(5-7)12-2;1-3-6-8(5)7-4-2/h3-5H,6H2,1-2H3;3-4H2,1-2H3/q;+1.
What are the key properties of 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium?
1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium has a molecular weight of 323.73 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-(methoxymethyl)benzene;diethoxy(oxo)phosphanium is sourced from PubChem (CID 18938168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).