(2-chloro-6-methylphenyl)-phosphanylmethanone

C8H8ClOP — CID 159149491

IUPAC(2-chloro-6-methylphenyl)-phosphanylmethanone
SMILESCc1cccc(Cl)c1C(=O)P
InChIInChI=1S/C8H8ClOP/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,11H2,1H3
InChIKeyDNSFULCBQIVRMM-UHFFFAOYSA-N
MW186.58 g/mol
LogP2.66
Rot. Bonds1

About (2-chloro-6-methylphenyl)-phosphanylmethanone

(2-chloro-6-methylphenyl)-phosphanylmethanone (PubChem CID 159149491) has the molecular formula C8H8ClOP and a molecular weight of 186.58 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-phosphanylmethanone
PubChem CID159149491
Molecular FormulaC8H8ClOP
Molecular Weight186.58 g/mol
Exact Mass186.00
IUPAC Name(2-chloro-6-methylphenyl)-phosphanylmethanone
SMILESCc1cccc(Cl)c1C(=O)P
InChIInChI=1S/C8H8ClOP/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,11H2,1H3
InChIKeyDNSFULCBQIVRMM-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.58
LogP ≤ 52.66
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

methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004
2,6-dimethylbenzoyl iodide
CID 87941795
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
CID 141016755
2-chloro-6-(trideuteriomethyl)benzoic acid
CID 130431647
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
1-(2-chloro-6-methylphenyl)-3,5,5-trimethyl-2-phosphanylhexan-1-one
CID 174476907
(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
CID 18513613

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-phosphanylmethanone?
The IUPAC name of (2-chloro-6-methylphenyl)-phosphanylmethanone (CID 159149491) is (2-chloro-6-methylphenyl)-phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-phosphanylmethanone is Cc1cccc(Cl)c1C(=O)P.
What is the InChIKey of (2-chloro-6-methylphenyl)-phosphanylmethanone?
The InChIKey is DNSFULCBQIVRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClOP/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,11H2,1H3.
What are the key properties of (2-chloro-6-methylphenyl)-phosphanylmethanone?
(2-chloro-6-methylphenyl)-phosphanylmethanone has a molecular weight of 186.58 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-phosphanylmethanone is sourced from PubChem (CID 159149491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).