(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone

C18H21O2P — CID 18513885

IUPAC(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
SMILESCCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C18H21O2P/c1-4-12-20-15-8-10-16(11-9-15)21-18(19)17-13(2)6-5-7-14(17)3/h5-11,21H,4,12H2,1-3H3
InChIKeyAPDGUAQAEPBGQJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP4.24
Rot. Bonds6

About (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone

(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone (PubChem CID 18513885) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
PubChem CID18513885
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
SMILESCCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C18H21O2P/c1-4-12-20-15-8-10-16(11-9-15)21-18(19)17-13(2)6-5-7-14(17)3/h5-11,21H,4,12H2,1-3H3
InChIKeyAPDGUAQAEPBGQJ-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70015731
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
CID 70014538
CID 70014538
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium (2,6-dimethylphenyl)-(4-methylphenyl)phosphanylmethanone
CID 18513809
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone?
The IUPAC name of (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone (CID 18513885) is (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone?
The canonical SMILES for (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone is CCCOc1ccc(PC(=O)c2c(C)cccc2C)cc1.
What is the InChIKey of (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone?
The InChIKey is APDGUAQAEPBGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c1-4-12-20-15-8-10-16(11-9-15)21-18(19)17-13(2)6-5-7-14(17)3/h5-11,21H,4,12H2,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone?
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone has a molecular weight of 300.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18513885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).