(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide

C14H24BrP — CID 175177342

IUPAC(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide
SMILESBr.CCCCCc1cc(P)c(C)c(C)c1C
InChIInChI=1S/C14H23P.BrH/c1-5-6-7-8-13-9-14(15)12(4)10(2)11(13)3;/h9H,5-8,15H2,1-4H3;1H
InChIKeySCDADXBQLUGXFD-UHFFFAOYSA-N
MW303.22 g/mol
LogP4.42
Rot. Bonds4

About (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide

(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide (PubChem CID 175177342) has the molecular formula C14H24BrP and a molecular weight of 303.22 g/mol. Its IUPAC name is (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide.

Molecular Properties

Compound Name(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide
PubChem CID175177342
Molecular FormulaC14H24BrP
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide
SMILESBr.CCCCCc1cc(P)c(C)c(C)c1C
InChIInChI=1S/C14H23P.BrH/c1-5-6-7-8-13-9-14(15)12(4)10(2)11(13)3;/h9H,5-8,15H2,1-4H3;1H
InChIKeySCDADXBQLUGXFD-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
5-butyl-2,3,4-trimethylphenol
CID 150949737
5-hexadecyl-2,3,4-trimethylbenzenesulfonic acid
CID 141115359
4-butyl-2,3,6-trimethylphenol
CID 91610949
1-heptyl-2,3,5-trimethylbenzene
CID 90943000
[2,3,4-tri(nonyl)phenyl]phosphane
CID 22289981
methyl 5-hexadecyl-2,3,4-trimethylbenzenesulfonate
CID 175018051
5-heptadecyl-4-methylbenzene-1,3-diol
CID 123730698
5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
CID 90895714
4-butyl-3,6-dimethylbenzene-1,2-diol
CID 87874831
(2-nonylphenyl)phosphane;phosphane
CID 174846019

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide?
The IUPAC name of (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide (CID 175177342) is (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide.
What is the SMILES notation for (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide?
The canonical SMILES for (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide is Br.CCCCCc1cc(P)c(C)c(C)c1C.
What is the InChIKey of (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide?
The InChIKey is SCDADXBQLUGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23P.BrH/c1-5-6-7-8-13-9-14(15)12(4)10(2)11(13)3;/h9H,5-8,15H2,1-4H3;1H.
What are the key properties of (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide?
(2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide has a molecular weight of 303.22 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethyl-5-pentylphenyl)phosphane;hydrobromide is sourced from PubChem (CID 175177342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).