CID 56621266

C10H13O3P — CID 56621266

IUPAC—
SMILESCc1cc(C)c(C(O)P(=O)=O)c(C)c1
InChIInChI=1S/C10H13O3P/c1-6-4-7(2)9(8(3)5-6)10(11)14(12)13/h4-5,10-11H,1-3H3
InChIKeyYCHGAYLUBPGJAB-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.78
Rot. Bonds2

About CID 56621266

CID 56621266 (PubChem CID 56621266) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol.

Molecular Properties

Compound NameCID 56621266
PubChem CID56621266
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name—
SMILESCc1cc(C)c(C(O)P(=O)=O)c(C)c1
InChIInChI=1S/C10H13O3P/c1-6-4-7(2)9(8(3)5-6)10(11)14(12)13/h4-5,10-11H,1-3H3
InChIKeyYCHGAYLUBPGJAB-UHFFFAOYSA-N
XLogP2.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
CID 70632558
hydroxy-(2,4,6-trimethylphenyl)methanesulfonic acid
CID 103574351
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
dilithium;2-(2,4,6-trimethylphenyl)propanedioate
CID 139411164
barium(2+);2-(2,4,6-trimethylphenyl)propanedioate
CID 153423889
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one
CID 83928229
2-nitro-1-(2,4,6-trimethylphenyl)ethanol
CID 102401511
2-amino-5-(2,4,6-trimethylphenyl)hexan-3-ol
CID 83928281

Frequently Asked Questions

What is the IUPAC name of CID 56621266?
The IUPAC name of CID 56621266 (CID 56621266) is not available.
What is the SMILES notation for CID 56621266?
The canonical SMILES for CID 56621266 is Cc1cc(C)c(C(O)P(=O)=O)c(C)c1.
What is the InChIKey of CID 56621266?
The InChIKey is YCHGAYLUBPGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c1-6-4-7(2)9(8(3)5-6)10(11)14(12)13/h4-5,10-11H,1-3H3.
What are the key properties of CID 56621266?
CID 56621266 has a molecular weight of 212.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56621266 is sourced from PubChem (CID 56621266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).