hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium

C7H10O2P+ — CID 155672201

IUPAChydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium
SMILESC[C@@]1([P+](=O)O)C=CC=CC1
InChIInChI=1S/C7H9O2P/c1-7(10(8)9)5-3-2-4-6-7/h2-5H,6H2,1H3/p+1/t7-/m1/s1
InChIKeyINFLNPCDXZLOGN-SSDOTTSWSA-O
MW157.13 g/mol
LogP2.00
Rot. Bonds1

About hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium

hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium (PubChem CID 155672201) has the molecular formula C7H10O2P+ and a molecular weight of 157.13 g/mol. Its IUPAC name is hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium
PubChem CID155672201
Molecular FormulaC7H10O2P+
Molecular Weight157.13 g/mol
Exact Mass157.04
IUPAC Namehydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium
SMILESC[C@@]1([P+](=O)O)C=CC=CC1
InChIInChI=1S/C7H9O2P/c1-7(10(8)9)5-3-2-4-6-7/h2-5H,6H2,1H3/p+1/t7-/m1/s1
InChIKeyINFLNPCDXZLOGN-SSDOTTSWSA-O
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
CID 175786929
CID 163995556
CID 163995556
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
dimethyl cyclohexa-2,4-diene-1,1-dicarboxylate
CID 12865894
1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
CID 18921248
(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
CID 66545334
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556
(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 87989743
(1-acetylcyclohexa-2,4-dien-1-yl)boronic acid
CID 142702865
2-(1-aminocyclohexa-2,4-dien-1-yl)-2-oxoacetaldehyde
CID 151519644

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium?
The IUPAC name of hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium (CID 155672201) is hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium.
What is the SMILES notation for hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium?
The canonical SMILES for hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium is C[C@@]1([P+](=O)O)C=CC=CC1.
What is the InChIKey of hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium?
The InChIKey is INFLNPCDXZLOGN-SSDOTTSWSA-O. The full InChI is InChI=1S/C7H9O2P/c1-7(10(8)9)5-3-2-4-6-7/h2-5H,6H2,1H3/p+1/t7-/m1/s1.
What are the key properties of hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium?
hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium has a molecular weight of 157.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium is sourced from PubChem (CID 155672201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).