[(1S)-1-(2-methoxyphenyl)ethyl]phosphane

C9H13OP — CID 130462203

IUPAC[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
SMILESCOc1ccccc1[C@H](C)P
InChIInChI=1S/C9H13OP/c1-7(11)8-5-3-4-6-9(8)10-2/h3-7H,11H2,1-2H3/t7-/m0/s1
InChIKeyUUIMXBHJZGRVII-ZETCQYMHSA-N
MW168.18 g/mol
LogP2.63
Rot. Bonds2

About [(1S)-1-(2-methoxyphenyl)ethyl]phosphane

[(1S)-1-(2-methoxyphenyl)ethyl]phosphane (PubChem CID 130462203) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is [(1S)-1-(2-methoxyphenyl)ethyl]phosphane.

Molecular Properties

Compound Name[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
PubChem CID130462203
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
SMILESCOc1ccccc1[C@H](C)P
InChIInChI=1S/C9H13OP/c1-7(11)8-5-3-4-6-9(8)10-2/h3-7H,11H2,1-2H3/t7-/m0/s1
InChIKeyUUIMXBHJZGRVII-ZETCQYMHSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
1-methoxy-2-[(1R)-1-propan-2-yloxyethyl]benzene
CID 10750337
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
1,2-dimethoxybenzene;dihydrochloride
CID 19834650

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-methoxyphenyl)ethyl]phosphane?
The IUPAC name of [(1S)-1-(2-methoxyphenyl)ethyl]phosphane (CID 130462203) is [(1S)-1-(2-methoxyphenyl)ethyl]phosphane.
What is the SMILES notation for [(1S)-1-(2-methoxyphenyl)ethyl]phosphane?
The canonical SMILES for [(1S)-1-(2-methoxyphenyl)ethyl]phosphane is COc1ccccc1[C@H](C)P.
What is the InChIKey of [(1S)-1-(2-methoxyphenyl)ethyl]phosphane?
The InChIKey is UUIMXBHJZGRVII-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13OP/c1-7(11)8-5-3-4-6-9(8)10-2/h3-7H,11H2,1-2H3/t7-/m0/s1.
What are the key properties of [(1S)-1-(2-methoxyphenyl)ethyl]phosphane?
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane has a molecular weight of 168.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-methoxyphenyl)ethyl]phosphane is sourced from PubChem (CID 130462203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).