(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane

C26H31O3P — CID 167104013

IUPAC(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane
SMILESCCCCc1cc(C)cc(P(c2ccccc2OC)c2ccccc2OC)c1OC
InChIInChI=1S/C26H31O3P/c1-6-7-12-20-17-19(2)18-25(26(20)29-5)30(23-15-10-8-13-21(23)27-3)24-16-11-9-14-22(24)28-4/h8-11,13-18H,6-7,12H2,1-5H3
InChIKeyOIOGLHOTOYFUQT-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.12
Rot. Bonds9

About (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane

(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane (PubChem CID 167104013) has the molecular formula C26H31O3P and a molecular weight of 422.51 g/mol. Its IUPAC name is (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane.

Molecular Properties

Compound Name(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane
PubChem CID167104013
Molecular FormulaC26H31O3P
Molecular Weight422.51 g/mol
Exact Mass422.20
IUPAC Name(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane
SMILESCCCCc1cc(C)cc(P(c2ccccc2OC)c2ccccc2OC)c1OC
InChIInChI=1S/C26H31O3P/c1-6-7-12-20-17-19(2)18-25(26(20)29-5)30(23-15-10-8-13-21(23)27-3)24-16-11-9-14-22(24)28-4/h8-11,13-18H,6-7,12H2,1-5H3
InChIKeyOIOGLHOTOYFUQT-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dibutyl-4-methylphenoxy)alumane
CID 175492073
2-butyl-7-methoxycyclohepta-2,4,6-trien-1-one
CID 162445839
[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
CID 153279008
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-butyl-1,3-dimethoxybenzene
CID 524840
1-methoxy-2-tetradecylbenzene
CID 69169530
1-butyl-2-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylbenzene;propane
CID 142160854
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
5-(3,4-dimethoxy-5-pentadecylphenyl)-1-heptadecyl-2,3-dimethoxybenzene
CID 86127224
5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
CID 143675910
(2-butyl-4-methoxynaphthalen-1-yl) (2S)-2-amino-3-methylbutanoate
CID 14100498
2-heptadecyl-6-methoxyphenol
CID 10713705

Frequently Asked Questions

What is the IUPAC name of (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane?
The IUPAC name of (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane (CID 167104013) is (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane.
What is the SMILES notation for (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane?
The canonical SMILES for (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane is CCCCc1cc(C)cc(P(c2ccccc2OC)c2ccccc2OC)c1OC.
What is the InChIKey of (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane?
The InChIKey is OIOGLHOTOYFUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O3P/c1-6-7-12-20-17-19(2)18-25(26(20)29-5)30(23-15-10-8-13-21(23)27-3)24-16-11-9-14-22(24)28-4/h8-11,13-18H,6-7,12H2,1-5H3.
What are the key properties of (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane?
(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane has a molecular weight of 422.51 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane is sourced from PubChem (CID 167104013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).